2-methyl-2H-1,2,3-benzotriazole-4-carbaldehyde - CAS 1936022-13-7
Catalog: |
BB014991 |
Product Name: |
2-methyl-2H-1,2,3-benzotriazole-4-carbaldehyde |
CAS: |
1936022-13-7 |
Synonyms: |
2-methyl-4-benzotriazolecarboxaldehyde; 2-methylbenzotriazole-4-carbaldehyde |
IUPAC Name: | 2-methylbenzotriazole-4-carbaldehyde |
Description: | 2-methyl-2H-1,2,3-benzotriazole-4-carbaldehyde (CAS# 1936022-13-7 ) is a useful research chemical. |
Molecular Weight: | 161.164 |
Molecular Formula: | C8H7N3O |
Canonical SMILES: | CN1N=C2C=CC=C(C2=N1)C=O |
InChI: | InChI=1S/C8H7N3O/c1-11-9-7-4-2-3-6(5-12)8(7)10-11/h2-5H,1H3 |
InChI Key: | QVPDQCIHUYRNNR-UHFFFAOYSA-N |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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