CAS 2516-96-3 | Benzoic acid, 2-chloro-5-nitro- | CAS Number 2516-96-3

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2516-96-3 | Benzoic acid, 2-chloro-5-nitro-

CAS No: 2516-96-3 Catalog No: AG002QP2 MDL No:MFCD00007294

Product Description

Catalog Number:

AG002QP2

Chemical Name:

Benzoic acid, 2-chloro-5-nitro-

CAS Number:

2516-96-3

Molecular Formula:

C7H4ClNO4

Molecular Weight:

201.5640

MDL Number:

MFCD00007294

IUPAC Name:

2-chloro-5-nitrobenzoic acid

InChI:

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

InChI Key:

QUEKGYQTRJVEQC-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(c(c1)C(=O)O)Cl

EC Number:

219-739-7

NSC Number:

8441

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:

Literature

Title	Journal
4-Chloro-2-nitro-benzoic acid-pyrazine (2/1).	Acta crystallographica. Section E, Structure reports online 20111201
Octa-butyl-bis-(μ(2)-2-chloro-5-nitro-benzoato)bis-(2-chloro-5-nitro-benzoato)di-μ(3)-oxido-tetra-tin(IV).	Acta crystallographica. Section E, Structure reports online 20101201
Decarboxylative homocoupling of (hetero)aromatic carboxylic acids.	Chemical communications (Cambridge, England) 20101121
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
Catalyst-free microwave-assisted amination of 2-chloro-5-nitrobenzoic acid.	The Journal of organic chemistry 20070720
Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine.	Acta crystallographica. Section C, Crystal structure communications 20020401
Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate.	Acta crystallographica. Section C, Crystal structure communications 20011201
2:1 complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine.	Acta crystallographica. Section C, Crystal structure communications 20010701