200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 339289-02-0
339289-02-0 | 4-(4-methyl-3-nitrobenzenesulfonamido)benzoic acid
CAS No: 339289-02-0 Catalog No: AG019I90 MDL No:MFCD00823316
Product Description
Catalog Number:
AG019I90
Chemical Name:
4-(4-methyl-3-nitrobenzenesulfonamido)benzoic acid
CAS Number:
339289-02-0
Molecular Formula:
C14H12N2O6S
Molecular Weight:
336.3199
MDL Number:
MFCD00823316
IUPAC Name:
4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C14H12N2O6S/c1-9-2-7-12(8-13(9)16(19)20)23(21,22)15-11-5-3-10(4-6-11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChI Key:
KHUKDESFCVFPAE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.318g/mol
Monoisotopic Mass:
336.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.