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1185360-65-9 | 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine dihydrochloride
CAS No: 1185360-65-9 Catalog No: AG01FK3E MDL No:
Product Description
Catalog Number:
AG01FK3E
Chemical Name:
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine dihydrochloride
CAS Number:
1185360-65-9
Molecular Formula:
C12H16Cl2FN3
Molecular Weight:
292.1799
IUPAC Name:
1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;dihydrochloride
InChI:
InChI=1S/C12H14FN3.2ClH/c1-8-12(14)9(2)16(15-8)7-10-4-3-5-11(13)6-10;;/h3-6H,7,14H2,1-2H3;2*1H
InChI Key:
ZKLLDQVTJJQSNS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Cn1nc(c(c1C)N)C.Cl.Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.179g/mol
Monoisotopic Mass:
291.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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