3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid - CAS 1261967-52-5

Name: 3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB069337
Product Name:	3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
CAS:	1261967-52-5
Synonyms:	3-(2-CHLORO-4-METHYLPHENYL)-5-NITROBENZOIC ACID; 2'-Chloro-4'-methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid; 2/'-Chloro-4/'-Methyl-5-nitro-[1,1/'-biphenyl]-3-carboxylic acid; 2'-Chloro-4'-methyl-5-nitro-[1,1'-biphenyl]-3-carboxylicacid

Technical Data

IUPAC Name:	3-(2-chloro-4-methylphenyl)-5-nitrobenzoic acid
Description:	3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
Molecular Weight:	291.69
Molecular Formula:	C14H10ClNO4
Canonical SMILES:	CC1=CC(=C(C=C1)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O)Cl
InChI:	InChI=1S/C14H10ClNO4/c1-8-2-3-12(13(15)4-8)9-5-10(14(17)18)7-11(6-9)16(19)20/h2-7H,1H3,(H,17,18)
InChI Key:	RZGAQDGKJGIPPL-UHFFFAOYSA-N

Complexity:	384
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.0298355
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	291.0298355
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9