| CAS Number | 926247-14-5 |
| Catalog Number | AG019LMU |
| Chemical Name | 4-Fluoro-3-[(prop-2-en-1-yl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-fluoro-3-(prop-2-enylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H10FNO4S/c1-2-5-12-17(15,16)9-6-7(10(13)14)3-4-8(9)11/h2-4,6,12H,1,5H2,(H,13,14) |
| InChI Key | HKJXODOYNLXZLB-UHFFFAOYSA-N |
| MDL Number | MFCD09041190 |
| Molecular Formula | C10H10FNO4S |
| Molecular Weight | 259.2541 |
| SMILES | OC(C1=CC(S(NCC=C)(=O)=O)=C(F)C=C1)=O |
| Synonyms | 4-fluoro-3-[(prop-2-en-1-yl)sulfamoyl]benzoic acid,
3-[(allylamino)sulfonyl]-4-fluorobenzoic acid,
EN300-31809,
926247-14-5,
AC1Q72SC,
CTK5J4947,
ZINC12997585,
AKOS000123391,
MCULE-3737778063,
NE30814,
NCGC00334292-01,
BC4127519,
AB01327303-02,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.251g/mol |
| Monoisotopic Mass | 259.031g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number