| CAS Number | 926236-77-3 |
| Catalog Number | AG019NG6 |
| Chemical Name | 2-(3-Fluoro-4-methoxy-5-sulfamoylphenyl)acetic acid |
| IUPAC Name | 2-(3-fluoro-4-methoxy-5-sulfamoylphenyl)acetic acid |
| InChI | InChI=1S/C9H10FNO5S/c1-16-9-6(10)2-5(4-8(12)13)3-7(9)17(11,14)15/h2-3H,4H2,1H3,(H,12,13)(H2,11,14,15) |
| InChI Key | YKFIHBKALRAACF-UHFFFAOYSA-N |
| MDL Number | MFCD09045119 |
| Molecular Formula | C9H10FNO5S |
| Molecular Weight | 263.2428 |
| SMILES | COC1=C(S(N)(=O)=O)C=C(CC(O)=O)C=C1F |
| Synonyms | 2-(3-fluoro-4-methoxy-5-sulfamoylphenyl)acetic acid,
926236-77-3,
[3-(aminosulfonyl)-5-fluoro-4-methoxyphenyl]acetic acid,
AC1Q44UP,
ZINC21960705,
AKOS000128827,
MCULE-1219665363,
NE59033,
EN300-40325,
Z414318844,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.239g/mol |
| Monoisotopic Mass | 263.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number