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Home > Nitro Compounds > 326916-23-8
326916-23-8 | 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CAS No: 326916-23-8 Catalog No: AG019GIR MDL No:MFCD02704358
Product Description
Catalog Number:
AG019GIR
Chemical Name:
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CAS Number:
326916-23-8
Molecular Formula:
C14H12N2O7S
Molecular Weight:
352.3193
MDL Number:
MFCD02704358
IUPAC Name:
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C14H12N2O7S/c1-23-13-6-5-10(16(19)20)8-12(13)15-24(21,22)11-4-2-3-9(7-11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChI Key:
YLLPJSJHTNHCRY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
569
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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