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Home > Nitro Compounds > 519152-08-0
519152-08-0 | 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CAS No: 519152-08-0 Catalog No: AG019GNU MDL No:MFCD03480003
Product Description
Catalog Number:
AG019GNU
Chemical Name:
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CAS Number:
519152-08-0
Molecular Formula:
C14H12N2O7S
Molecular Weight:
352.3193
MDL Number:
MFCD03480003
IUPAC Name:
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C14H12N2O7S/c1-23-13-7-4-10(16(19)20)8-12(13)15-24(21,22)11-5-2-9(3-6-11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChI Key:
YSLCCHPORMJMFG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.037g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.317g/mol
Monoisotopic Mass:
352.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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