| CAS Number | 34263-58-6 |
| Catalog Number | AG00CLTI(AGN-PC-0WA9XU) |
| Chemical Name | 4-Amino-3-methanesulfonylbenzoic acid |
| IUPAC Name | 4-amino-3-methylsulfonylbenzoic acid |
| InChI | InChI=1S/C8H9NO4S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11) |
| InChI Key | CKXUUHUNEVUMHF-UHFFFAOYSA-N |
| MDL Number | MFCD22689091 |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.2264 |
| SMILES | CS(C1=C(N)C=CC(C(O)=O)=C1)(=O)=O |
| Synonyms | 4-Amino-3-methanesulfonylbenzoic acid,
34263-58-6,
4-amino-3-methylsulfonylbenzoic acid,
SCHEMBL9195326,
CKXUUHUNEVUMHF-UHFFFAOYSA-N,
ZINC95217926,
FT-0708917,
V5311,
C8H9NO4S,
4-amino-3-(methylsulfonyl)Benzoic acid,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.223g/mol |
| Monoisotopic Mass | 215.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number