O-(3,5-Dichlorophenyl)hydroxylamine

Synopsis, Chemistry

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Also known as: 99907-90-1, 3,5-dichlorophenoxyamine, Hydroxylamine, o-(3,5-dichlorophenyl)-, Schembl4210449, Dtxsid00471352, Mfcd09029771

Molecular Formula

C₆H₅Cl₂NO

Molecular Weight

178.01 g/mol

InChI Key

PCSYDOORDVYWPI-UHFFFAOYSA-N

1 2D Structure

O-(3,5-Dichlorophenyl)hydroxylamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

O-(3,5-dichlorophenyl)hydroxylamine

2.1.2 InChI

InChI=1S/C6H5Cl2NO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2

2.1.3 InChI Key

PCSYDOORDVYWPI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=C(C=C1Cl)Cl)ON

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 99907-90-1

2. 3,5-dichlorophenoxyamine

3. Hydroxylamine, O-(3,5-dichlorophenyl)-

4. Schembl4210449

5. Dtxsid00471352

6. Mfcd09029771

7. Zinc21987339

8. Akos006290319

9. Ds-7300

10. C77396

11. A858406

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₅Cl₂NO
Molecular Weight	178.01 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	176.9748192 g/mol
Monoisotopic Mass	176.9748192 g/mol
Topological Polar Surface Area	35.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	102
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