| CAS Number | 327092-59-1 |
| Catalog Number | AG019GKD |
| Chemical Name | 4-Chloro-3-(2-methoxy-5-nitro-phenylsulfamoyl)-benzoic acid |
| IUPAC Name | 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H11ClN2O7S/c1-24-12-5-3-9(17(20)21)7-11(12)16-25(22,23)13-6-8(14(18)19)2-4-10(13)15/h2-7,16H,1H3,(H,18,19) |
| InChI Key | AHLPHWFEPUMSIJ-UHFFFAOYSA-N |
| MDL Number | MFCD02708213 |
| Molecular Formula | C14H11ClN2O7S |
| Molecular Weight | 386.7643 |
| SMILES | COC1=C(NS(C2=C(Cl)C=CC(C(O)=O)=C2)(=O)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid,
327092-59-1,
4-Chloro-3-(2-methoxy-5-nitro-phenylsulfamoyl)-benzoic acid,
AC1MXDUW,
AC1Q4C5F,
Oprea1_285727,
CTK7A7078,
ZINC3884783,
AKOS000114745,
MCULE-4885812391,
NE26023,
EN300-00433,
Z45614163,
CID3764062,
4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic Acid,
|
| Complexity | 603 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.759g/mol |
| Monoisotopic Mass | 385.998g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 147A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number