| CAS Number | 326916-23-8 |
| Catalog Number | AG019GIR |
| Chemical Name | 3-[(2-Methoxy-5-nitrophenyl)sulfamoyl]benzoic acid |
| 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 |
| MDL Number | MFCD02704358 |
| Molecular Formula | C14H12N2O7S |
| Molecular Weight | 352.3193 |
| SMILES | COC1=C(NS(C2=CC(C(O)=O)=CC=C2)(=O)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid,
3-(2-Methoxy-5-nitro-phenylsulfamoyl)-benzoic acid,
326916-23-8,
AC1MZ1CN,
Oprea1_459403,
MLS000773546,
CHEMBL1382541,
CTK7A7090,
HMS2760P21,
AC1Q4666,
ZINC3884712,
STK982037,
AKOS000114664,
MCULE-9840227764,
NE12172,
SMR000364258,
EN300-00307,
Z45614179,
CID3865487,
3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic Acid,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number