| CAS Number | 519152-11-5 |
| Catalog Number | AG019GNX |
| Chemical Name | 2-Fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H11FN2O7S/c1-24-13-5-2-8(17(20)21)6-12(13)16-25(22,23)9-3-4-11(15)10(7-9)14(18)19/h2-7,16H,1H3,(H,18,19) |
| InChI Key | DSCVEQRADREGEE-UHFFFAOYSA-N |
| MDL Number | MFCD03480007 |
| Molecular Formula | C14H11FN2O7S |
| Molecular Weight | 370.3097 |
| SMILES | COC1=C(NS(C2=CC(C(O)=O)=C(F)C=C2)(=O)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid,
519152-11-5,
2-Fluoro-5-(2-methoxy-5-nitro-phenylsulfamoyl)-benzoic acid,
AC1M5N87,
AC1Q466N,
CTK7A7082,
ZINC3239398,
AKOS000114970,
MCULE-9894083908,
NE12504,
EN300-00620,
SR-01000034099,
SR-01000034099-1,
Z45614261,
CID2356966,
2-fluoro-5-[(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 | 370.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.307g/mol |
| Monoisotopic Mass | 370.027g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 147A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number