| CAS Number | 155493-93-9 |
| Catalog Number | AG00ABUN(AGN-PC-0WBRTX) |
| Chemical Name | ([4-(Chlorosulfonyl)benzoyl]amino)acetic acid |
| IUPAC Name | 2-[(4-chlorosulfonylbenzoyl)amino]acetic acid |
| InChI | InChI=1S/C9H8ClNO5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) |
| InChI Key | CBDGPFVSWUUXJX-UHFFFAOYSA-N |
| MDL Number | MFCD06340099 |
| Molecular Formula | C9H8ClNO5S |
| Molecular Weight | 277.6815 |
| SMILES | O=C(O)CNC(C1=CC=C(S(=O)(Cl)=O)C=C1)=O |
| Synonyms | 155493-93-9,
{[4-(chlorosulfonyl)benzoyl]amino}acetic acid,
2-{[4-(chlorosulfonyl)phenyl]formamido}acetic acid,
2-(4-(Chlorosulfonyl)benzamido)acetic acid,
[[4-(CHLOROSULFONYL)BENZOYL]AMINO]ACETIC ACID,
2-[(4-chlorosulfonylbenzoyl)amino]acetic Acid,
AC1NMV84,
AC1Q75YD,
CTK7J5213,
AKOS000141686,
ZINC100438349,
NE27625,
EN300-09824,
J-502794,
([4-(chlorosulfonyl)benzoyl]amino)acetic acid, AldrichCPR,
CID5016601,
([4-(chlorosulfonyl)benzoyl]amino)acetic acid,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.675g/mol |
| Monoisotopic Mass | 276.981g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number