| CAS Number | 1400645-30-8 |
| Catalog Number | AG009WSV(AGN-PC-0WADOO) |
| Chemical Name | Methyl 1-cyclopentyl-1,2,3-benzotriazole-5-carboxylate |
| IUPAC Name | methyl 1-cyclopentylbenzotriazole-5-carboxylate |
| InChI | InChI=1S/C13H15N3O2/c1-18-13(17)9-6-7-12-11(8-9)14-15-16(12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3 |
| InChI Key | IHTGNEMBMFZRCA-UHFFFAOYSA-N |
| MDL Number | MFCD22421555 |
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.2771 |
| SMILES | COC(=O)c1ccc2c(c1)nnn2C1CCCC1 |
| Synonyms | METHYL 1-CYCLOPENTYL-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE,
1400645-30-8,
KM5692,
ZINC95496040,
AKOS026673256,
V3025,
C13H15N3O2,
1-cyclopentyl-1H-Benzotriazole-5-carboxylic acid methyl ester,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.282g/mol |
| Monoisotopic Mass | 245.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number