| CAS Number | 951558-74-0 |
| Catalog Number | AG00IIRQ(AGN-PC-0WADNY) |
| Chemical Name | Methyl 1-benzyl-1,2,3-benzotriazole-5-carboxylate |
| IUPAC Name | methyl 1-benzylbenzotriazole-5-carboxylate |
| InChI | InChI=1S/C15H13N3O2/c1-20-15(19)12-7-8-14-13(9-12)16-17-18(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
| InChI Key | ARTRMRWKXFPTDV-UHFFFAOYSA-N |
| MDL Number | MFCD15006357 |
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.2826 |
| SMILES | COC(=O)c1ccc2c(c1)nnn2Cc1ccccc1 |
| Synonyms | 951558-74-0,
METHYL 1-BENZYL-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE,
Methyl 1-benzyl-1H-benzo[d][1,2,3]triazole-5-carboxylate,
SCHEMBL15687303,
KM5713,
ZINC15864698,
CCG-185467,
MCULE-4615247340,
V9497,
VU0649983-1,
1-Benzyl-1H-benzotriazole-5-carboxylic acid methyl ester,
methyl 1-benzyl-1H-1,2,3-benzotriazole-5-carboxylate,
C15H13N3O2,
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| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.288g/mol |
| Monoisotopic Mass | 267.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number