Methyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate - CAS 1420800-14-1
Catalog: |
BB059828 |
Product Name: |
Methyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate |
CAS: |
1420800-14-1 |
Synonyms: |
Methyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate; methyl 7-bromo-1-methylbenzotriazole-5-carboxylate; Methyl7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate; 7-Bromo-1-methyl-1H-benzotriazole-5-carboxylic acid methyl ester |
IUPAC Name: | methyl 7-bromo-1-methylbenzotriazole-5-carboxylate |
Description: | Methyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate |
Molecular Weight: | 270.08 |
Molecular Formula: | C9H8BrN3O2 |
Canonical SMILES: | CN1C2=C(C=C(C=C2Br)C(=O)OC)N=N1 |
InChI: | InChI=1S/C9H8BrN3O2/c1-13-8-6(10)3-5(9(14)15-2)4-7(8)11-12-13/h3-4H,1-2H3 |
InChI Key: | NHALTCGLXRMQNZ-UHFFFAOYSA-N |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.97999 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.97999 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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