| CAS Number | 732291-85-9 |
| Catalog Number | AG00ICDL |
| Chemical Name | 2-(1-hydroxy-1H-1,2,3-benzotriazole-5-sulfonamido)acetic acid |
| IUPAC Name | 2-[(1-hydroxybenzotriazol-5-yl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C8H8N4O5S/c13-8(14)4-9-18(16,17)5-1-2-7-6(3-5)10-11-12(7)15/h1-3,9,15H,4H2,(H,13,14) |
| InChI Key | QUSLAPOTGGILME-UHFFFAOYSA-N |
| MDL Number | MFCD04633427 |
| Molecular Formula | C8H8N4O5S |
| Molecular Weight | 272.2379 |
| SMILES | OC(CNS(C1=CC2=C(N(N=N2)O)C=C1)(=O)=O)=O |
| Synonyms | 732291-85-9,
2-(1-hydroxy-1H-1,2,3-benzotriazole-5-sulfonamido)acetic acid,
([(1-Hydroxy-1H-1,2,3-benzotriazol-5-yl)sulfonyl]amino)acetic acid,
{[(1-hydroxy-1H-1,2,3-benzotriazol-5-yl)sulfonyl]amino}acetic acid,
AC1M7EFL,
AC1Q7DHS,
CTK7J5352,
2-[(1-hydroxybenzotriazol-5-yl)sulfonylamino]acetic Acid,
ZINC3300893,
MFCD04633427,
AKOS008029936,
MCULE-2549247784,
NE12973,
EN300-07660,
CID2416539,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.235g/mol |
| Monoisotopic Mass | 272.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number