5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic Acid - CAS 956317-36-5
Catalog: |
BB041780 |
Product Name: |
5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic Acid |
CAS: |
956317-36-5 |
Synonyms: |
5-methyl-2-(2-triazolyl)benzoic acid; 5-methyl-2-(triazol-2-yl)benzoic acid |
IUPAC Name: | 5-methyl-2-(triazol-2-yl)benzoic acid |
Description: | 5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic Acid (CAS# 956317-36-5) is a useful research chemical. |
Molecular Weight: | 203.20 |
Molecular Formula: | C10H9N3O2 |
Canonical SMILES: | CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O |
InChI: | InChI=1S/C10H9N3O2/c1-7-2-3-9(8(6-7)10(14)15)13-11-4-5-12-13/h2-6H,1H3,(H,14,15) |
InChI Key: | SRBAGFIYKNQXDV-UHFFFAOYSA-N |
LogP: | 1.27390 |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111943945-A | Suvorexant intermediate and preparation method thereof | 20200903 |
WO-2020099511-A1 | Benzimidazole-2-methyl-morpholine derivatives | 20181114 |
US-2020199114-A1 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | 20181018 |
EP-3699173-A1 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | 20181018 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS