1-((5-Phenyl-2H-tetrazol-2-yl)methyl)-1H-pyrazole-3-carboxylic acid - CAS 1005646-64-9
Catalog: |
BB046509 |
Product Name: |
1-((5-Phenyl-2H-tetrazol-2-yl)methyl)-1H-pyrazole-3-carboxylic acid |
CAS: |
1005646-64-9 |
Synonyms: |
1-[(5-phenyl-1,2,3,4-tetraazol-2-yl)methyl]pyrazole-3-carboxylic acid; 1-[(5-phenyl-2H-tetrazol-2-yl)methyl]-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxylic acid |
Description: | 1-((5-Phenyl-2H-tetrazol-2-yl)methyl)-1H-pyrazole-3-carboxylic acid (CAS# 1005646-64-9 ) is a useful research chemical. |
Molecular Weight: | 270.25 |
Molecular Formula: | C12H10N6O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN(N=N2)CN3C=CC(=N3)C(=O)O |
InChI: | InChI=1S/C12H10N6O2/c19-12(20)10-6-7-17(14-10)8-18-15-11(13-16-18)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,20) |
InChI Key: | UGXKJUFRIUUVII-UHFFFAOYSA-N |
Boiling Point: | 566.3±56.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.08652358 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.08652358 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 98.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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