1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine - CAS 512809-93-7
Catalog: |
BB044723 |
Product Name: |
1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine |
CAS: |
512809-93-7 |
Synonyms: |
Pyrazol-4-amine, 1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-; 1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine; 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-ylamine |
IUPAC Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine |
Description: | 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS# 512809-93-7 ) is a useful research chemical. |
Molecular Weight: | 253.70 |
Molecular Formula: | C12H13ClFN3 |
Canonical SMILES: | CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)N |
InChI: | InChI=1S/C12H13ClFN3/c1-7-12(15)8(2)17(16-7)6-9-10(13)4-3-5-11(9)14/h3-5H,6,15H2,1-2H3 |
InChI Key: | VIZPWFGIFXOESP-UHFFFAOYSA-N |
Boiling Point: | 396.4±42.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.0782033 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.0782033 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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