1-methyl-1H-1,2,3-benzotriazole-7-carbaldehyde - CAS 120321-75-7
Catalog: |
BB004785 |
Product Name: |
1-methyl-1H-1,2,3-benzotriazole-7-carbaldehyde |
CAS: |
120321-75-7 |
Synonyms: |
3-methyl-4-benzotriazolecarboxaldehyde; 3-methylbenzotriazole-4-carbaldehyde |
IUPAC Name: | 3-methylbenzotriazole-4-carbaldehyde |
Description: | 1-methyl-1H-1,2,3-benzotriazole-7-carbaldehyde (CAS# 120321-75-7 ) is a useful research chemical. |
Molecular Weight: | 161.164 |
Molecular Formula: | C8H7N3O |
Canonical SMILES: | CN1C2=C(C=CC=C2N=N1)C=O |
InChI: | InChI=1S/C8H7N3O/c1-11-8-6(5-12)3-2-4-7(8)9-10-11/h2-5H,1H3 |
InChI Key: | YURRLZPULCNZHM-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
BG-60429-B2 | (1H-AZOL-1-ILMETHYL) SUBSTITUTED BENZOTRIAZOLE PRODUCTS | 19870601 |
DK-175218-B1 | (1H-Azol-1-ylmethyl) substituted benzotriazole derivatives, process for their preparation and pharmaceutical composition containing a benzotriazole derivative according to the invention | 19870601 |
EP-0293978-A2 | (1H-azol-1-ylmethyl)substituted benzotriazole derivatives | 19870601 |
EP-0293978-B1 | (1h-azol-1-ylmethyl)substituted benzotriazole derivatives | 19870601 |
FI-90078-B | FRUIT PROTECTION FOR THERAPEUTIC CONTAINING THERAPEUTIC (1H-AZOL-1-YLMETHYL) SUBSTITUTE BENZOTRIAZOLDERIVAT | 19870601 |
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: | 0.6 |
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