| CAS Number | 1820666-73-6 |
| Catalog Number | AG00I0QQ |
| Chemical Name | 7-Bromo-1-propyl-1,2,3-benzotriazole-5-carboxylic acid |
| IUPAC Name | 7-bromo-1-propylbenzotriazole-5-carboxylic acid |
| InChI | InChI=1S/C10H10BrN3O2/c1-2-3-14-9-7(11)4-6(10(15)16)5-8(9)12-13-14/h4-5H,2-3H2,1H3,(H,15,16) |
| InChI Key | IMCDTFDNOQSTDB-UHFFFAOYSA-N |
| MDL Number | MFCD26131169 |
| Molecular Formula | C10H10BrN3O2 |
| Molecular Weight | 284.1093 |
| SMILES | CCCn1nnc2c1c(Br)cc(c2)C(=O)O |
| Synonyms | 1820666-73-6,
7-Bromo-1-propyl-1H-benzo[d][1,2,3]triazole-5-carboxylic acid,
7-Bromo-1-propyl-1,2,3-benzotriazole-5-carboxylic acid,
ZINC95496115,
Y2883,
C10H10BrN3O2,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.113g/mol |
| Monoisotopic Mass | 282.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number