Methyl 1-benzyl-1,2,3-benzotriazole-5-carboxylate - CAS 951558-74-0
Catalog: |
BB075819 |
Product Name: |
Methyl 1-benzyl-1,2,3-benzotriazole-5-carboxylate |
CAS: |
951558-74-0 |
Synonyms: |
METHYL 1-BENZYL-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE; methyl 1-benzylbenzotriazole-5-carboxylate; Methyl 1-benzyl-1H-benzo[d][1,2,3]triazole-5-carboxylate |
IUPAC Name: | methyl 1-benzylbenzotriazole-5-carboxylate |
Description: | Methyl 1-benzyl-1,2,3-benzotriazole-5-carboxylate |
Molecular Weight: | 267.28 |
Molecular Formula: | C15H13N3O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)N(N=N2)CC3=CC=CC=C3 |
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 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.100776666 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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