1-methyl-1H-1,2,3-benzotriazole-6-carboxylic acid - CAS 147137-39-1
Catalog: |
BB010165 |
Product Name: |
1-methyl-1H-1,2,3-benzotriazole-6-carboxylic acid |
CAS: |
147137-39-1 |
Synonyms: |
3-methyl-5-benzotriazolecarboxylic acid; 3-methylbenzotriazole-5-carboxylic acid |
IUPAC Name: | 3-methylbenzotriazole-5-carboxylic acid |
Description: | 1-methyl-1H-1,2,3-benzotriazole-6-carboxylic acid (CAS# 147137-39-1) is a useful research chemical. |
Molecular Weight: | 177.163 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CN1C2=C(C=CC(=C2)C(=O)O)N=N1 |
InChI: | InChI=1S/C8H7N3O2/c1-11-7-4-5(8(12)13)2-3-6(7)9-10-11/h2-4H,1H3,(H,12,13) |
InChI Key: | IRPJOTVJWOFFBR-UHFFFAOYSA-N |
LogP: | 0.00000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2013210405-A | Photosensitive resin composition | 20120330 |
JP-5884601-B2 | Method for producing photosensitive resin composition | 20120330 |
AU-2008317262-A1 | Tropane compounds | 20071025 |
AU-2008317262-B2 | Tropane compounds | 20071025 |
JP-2008003558-A | Pattern forming material, pattern forming method, and pattern | 20060526 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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