| CAS Number | 691363-13-0 |
| Catalog Number | AG00FGXM(AGN-PC-0N4WFE) |
| Chemical Name | 1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid |
| IUPAC Name | 1-cyclopropylbenzotriazole-5-carboxylic acid |
| InChI | InChI=1S/C10H9N3O2/c14-10(15)6-1-4-9-8(5-6)11-12-13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15) |
| InChI Key | UYVLESLXWSORKA-UHFFFAOYSA-N |
| MDL Number | MFCD09031746 |
| Molecular Formula | C10H9N3O2 |
| Molecular Weight | 203.1974 |
| SMILES | OC(=O)c1ccc2c(c1)nnn2C1CC1 |
| Synonyms | 1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid,
691363-13-0,
CHEMBL380939,
SCHEMBL6043957,
CTK7I8540,
ZINC13681556,
AKOS000210287,
V7318,
1-cyclopropyl-1H-benzotriazole-5-carboxylic acid,
C10H9N3O2,
CID10465474,
1-cyclopropylbenzotriazole-5-carboxylic Acid,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.201g/mol |
| Monoisotopic Mass | 203.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number