| CAS Number | 691363-08-3 |
| Catalog Number | AG00FGXL(AGN-PC-0N0G5L) |
| Chemical Name | 1-Cyclopentyl-1,2,3-benzotriazole-5-carboxylic acid |
| IUPAC Name | 1-cyclopentylbenzotriazole-5-carboxylic acid |
| InChI | InChI=1S/C12H13N3O2/c16-12(17)8-5-6-11-10(7-8)13-14-15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,16,17) |
| InChI Key | PFTXWYUOGYWVRS-UHFFFAOYSA-N |
| MDL Number | MFCD09031748 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | OC(=O)c1ccc2c(c1)nnn2C1CCCC1 |
| Synonyms | 1-Cyclopentyl-1,2,3-benzotriazole-5-carboxylic acid,
691363-08-3,
1-cyclopentyl-1H-benzotriazole-5-carboxylic acid,
CHEMBL201724,
SCHEMBL6044131,
CTK7I8542,
PFTXWYUOGYWVRS-UHFFFAOYSA-N,
ZINC13681561,
AKOS000210289,
V7315,
1-cyclopentyl-1H-1,2,3-benzotriazole-5-carboxylic acid,
C12H13N3O2,
CID10198518,
1-cyclopentylbenzotriazole-5-carboxylic Acid,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number