| CAS Number | 612044-14-1 |
| Catalog Number | AG019J9J |
| Chemical Name | ([(2-Cyanophenyl)sulfonyl]amino)acetic acid |
| IUPAC Name | 2-[(2-cyanophenyl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C9H8N2O4S/c10-5-7-3-1-2-4-8(7)16(14,15)11-6-9(12)13/h1-4,11H,6H2,(H,12,13) |
| InChI Key | FFCZGKASBBKMFO-UHFFFAOYSA-N |
| MDL Number | MFCD05261912 |
| Molecular Formula | C9H8N2O4S |
| Molecular Weight | 240.2358 |
| SMILES | OC(CNS(C1=C(C#N)C=CC=C1)(=O)=O)=O |
| Synonyms | {[(2-cyanophenyl)sulfonyl]amino}acetic acid,
2-(2-cyanobenzenesulfonamido)acetic acid,
EN300-08887,
612044-14-1,
AC1M0IVC,
2-[(2-cyanophenyl)sulfonylamino]acetic Acid,
AC1Q763M,
CTK7C8874,
ZINC2615929,
AKOS000122938,
MCULE-5696317856,
NCGC00339470-01,
AB01332428-02,
([(2-cyanophenyl)sulfonyl]amino)acetic acid, AldrichCPR,
CID2077655,
([(2-CYANOPHENYL)SULFONYL]AMINO)ACETIC ACID,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.233g/mol |
| Monoisotopic Mass | 240.02g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number