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1,7,7-trimethylbicyclo[2.2.1]heptan-2-one Mixt. With 4-chlorophenol

1,7,7-trimethylbicyclo[2.2.1]heptan-2-one mixt. with 4-chlorophenol

Synopsis, Chemistry

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1,7,7-trimethylbicyclo[2.2.1]heptan-2-one mixt. with 4-chlorophenol

Also known as: 8003-18-7, Camphorated p-monochlorophenol, 4-chlorophenol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, Chlorophenol camphor, Parachlorophenol, camphorated [usan], Camphor paramonochlorophenol

Molecular Formula

C₁₆H₂₁ClO₂

Molecular Weight

280.79 g/mol

InChI Key

GMDACCYEPJRFLD-UHFFFAOYSA-N

1 2D Structure

1,7,7-trimethylbicyclo[2.2.1]heptan-2-one mixt. with 4-chlorophenol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chlorophenol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

2.1.2 InChI

InChI=1S/C10H16O.C6H5ClO/c1-9(2)7-4-5-10(9,3)8(11)6-7;7-5-1-3-6(8)4-2-5/h7H,4-6H2,1-3H3;1-4,8H

2.1.3 InChI Key

GMDACCYEPJRFLD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C2CCC1(C(=O)C2)C)C.C1=CC(=CC=C1O)Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Camphor Paramonochlorophenol

2. Camphorated Monochlorophenol

3. Camphorated Monoparachlorophenol

4. Camphorated Parachlorophenol

5. Chlorophenol Camphor

6. Walkhoff Solution

2.2.2 Depositor-Supplied Synonyms

1. 8003-18-7

2. Camphorated P-monochlorophenol

3. 4-chlorophenol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

4. Chlorophenol Camphor

5. Parachlorophenol, Camphorated [usan]

6. Camphor Paramonochlorophenol

7. Camphorated Monochlorophenol

8. Camphorated Parachlorophenol

9. Camphorated Monoparachlorophenol

10. Ccris 9336

11. Walkhoff Solution

12. Schembl4280247

13. Dtxsid501000921

14. Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, Mixt. With 4-chlorophenol

15. D05357

16. 4-chlorophenol; 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

17. 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one--4-chlorophenol (1/1)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₁ClO₂
Molecular Weight	280.79 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	280.1230076 g/mol
Monoisotopic Mass	280.1230076 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	284
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Disinfectants

Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed) (See all compounds classified as Disinfectants.)

Anti-Infective Agents, Local

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)