CAS 796848-80-1

1 2D Structure

CAS 796848-80-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

phenyl N-(2-chloro-4-hydroxyphenyl)carbamate

2.1.2 InChI

InChI=1S/C13H10ClNO3/c14-11-8-9(16)6-7-12(11)15-13(17)18-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)

2.1.3 InChI Key

LBDLNHLYEKFAHH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)OC(=O)NC2=C(C=C(C=C2)O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 796848-80-1

2. Phenyl (2-chloro-4-hydroxyphenyl)carbamate

3. Phenyl 2-chloro-4-hydroxyphenylcarbamate

4. Carbamic Acid, (2-chloro-4-hydroxyphenyl)-, Phenyl Ester

5. Schembl1322757

6. Dtxsid10460979

7. Lbdlnhlyekfahh-uhfffaoysa-n

8. Akos014117348

9. Ac-33716

10. Phenyl(2-chloro-4-hydroxyphenyl)carbamate

11. Cs-0168591

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₀ClNO₃
Molecular Weight	263.67 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58.6
Heavy Atom Count	18
Formal Charge	0
Complexity	281
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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