7-(Difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 445025-82-1
Catalog: |
BB046825 |
Product Name: |
7-(Difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
445025-82-1 |
Synonyms: |
[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-(difluoromethyl)-5-methyl- |
IUPAC Name: | 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 7-(Difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 445025-82-1 ) is a useful research chemical. |
Molecular Weight: | 228.16 |
Molecular Formula: | C8H6F2N4O2 |
Canonical SMILES: | CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)O |
InChI: | InChI=1S/C8H6F2N4O2/c1-3-2-4(5(9)10)14-8(11-3)12-6(13-14)7(15)16/h2,5H,1H3,(H,15,16) |
InChI Key: | VIQHWADMQYGCLE-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.77±0.1 g/cm3 (Predicted) |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.04588177 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.04588177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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