CAS 4771-47-5 | 3-Chloro-2-nitrobenzoic acid | CAS Number 4771-47-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 4771-47-5

4771-47-5 | 3-Chloro-2-nitrobenzoic acid

CAS No: 4771-47-5 Catalog No: AG003J7D MDL No:MFCD00007087

Product Description

Catalog Number:

AG003J7D

Chemical Name:

3-Chloro-2-nitrobenzoic acid

CAS Number:

4771-47-5

Molecular Formula:

C7H4ClNO4

Molecular Weight:

201.5640

MDL Number:

MFCD00007087

IUPAC Name:

3-chloro-2-nitrobenzoic acid

InChI:

InChI=1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)

InChI Key:

VCHSXYHBMFKRBK-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(Cl)cccc1C(=O)O

EC Number:

225-313-1

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.983g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.562g/mol

Monoisotopic Mass:

200.983g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid.	Acta crystallographica. Section C, Crystal structure communications 20111101
Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid.	Acta crystallographica. Section C, Crystal structure communications 20091001