4-[(4-Methylphenyl)sulfonyl]-3-nitrobenzoic acid structure

4-[(4-Methylphenyl)sulfonyl]-3-nitrobenzoic acid

4-(4-methylphenyl)sulfonyl-3-nitrobenzoic acid

Also Known As: Maybridge1_001578|4-[(4-methylphenyl)sulfonyl]-3-nitrobenzoic acid|Oprea1_647350|HMS545P16|Phenol,4-[(hydroxymethoxy)methyl]|4-(4-methylphenyl)sulfonyl-3-nitrobenzoic acid|4-(4-Methylbenzene-1-sulfonyl)-3-nitrobenzoic acid

CAS: 90352-45-7
Molecular Formula C14H11NO6S
Molecular Weight 321.0307 g/mol
LogP 2.43422
Topological Polar Surface Area 114.58 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 321.0307
Monoisotopic Mass 321.0307
Heavy Atoms 22
Complexity 855.40186

Chemical Identifiers

CAS Number 90352-45-7
SMILES CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Product Overview

4-[(4-Methylphenyl)sulfonyl]-3-nitrobenzoic acid (CAS 90352-45-7), with molecular formula C14H11NO6S and molecular weight 321.0307 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyl-3-nitrobenzoic acid.

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