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1172844-66-4 | 1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CAS No: 1172844-66-4 Catalog No: AG01FK3D MDL No:
Product Description
Catalog Number:
AG01FK3D
Chemical Name:
1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CAS Number:
1172844-66-4
Molecular Formula:
C12H15Cl2N3
Molecular Weight:
272.1736
IUPAC Name:
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C12H14ClN3.ClH/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10;/h3-6H,7,14H2,1-2H3;1H
InChI Key:
QARNQVYQPHLUPW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1nc(c(c1C)N)C.Cl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.173g/mol
Monoisotopic Mass:
271.064g/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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