| CAS Number | 328028-09-7 |
| Catalog Number | AG00C6MA |
| Chemical Name | 4-(4-Chloro-3-nitrophenylsulfonamido)-2-hydroxybenzoic acid |
| IUPAC Name | 4-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-hydroxybenzoic acid |
| InChI | InChI=1S/C13H9ClN2O7S/c14-10-4-2-8(6-11(10)16(20)21)24(22,23)15-7-1-3-9(13(18)19)12(17)5-7/h1-6,15,17H,(H,18,19) |
| InChI Key | KGTOUPDTFMIEHG-UHFFFAOYSA-N |
| MDL Number | MFCD02704603 |
| Molecular Formula | C13H9ClN2O7S |
| Molecular Weight | 372.7378 |
| SMILES | O=C(O)C1=CC=C(NS(=O)(C2=CC=C(Cl)C([N+]([O-])=O)=C2)=O)C=C1O |
| Synonyms | 328028-09-7,
4-(4-Chloro-3-nitro-benzenesulfonylamino)-2-hydroxy-benzoic acid,
4-(4-chloro-3-nitrobenzenesulfonamido)-2-hydroxybenzoic acid,
4-(4-Chloro-3-nitrophenylsulfonamido)-2-hydroxybenzoic acid,
AC1MZ1RY,
AC1Q73E8,
SCHEMBL9997594,
CTK5I2573,
MFCD02704603,
ZINC20255000,
AKOS000114651,
MCULE-4697729439,
NE12175,
EN300-00293,
J-513475,
Z56785468,
4-(4-chloro-3-nitrobenzenesulfonylamino)-2-hydroxybenzoic acid,
4-[(4-chloro-3-nitrobenzene)sulfonamido]-2-hydroxybenzoic acid,
4-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-hydroxybenzoic acid,
CID3865672,
4-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-hydroxy-benzoic Acid,
|
| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.732g/mol |
| Monoisotopic Mass | 371.982g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 158A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number