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1015846-01-1 | 1H-Pyrazol-5-amine, 1-[(4-chlorophenyl)methyl]-4-methyl-
CAS No: 1015846-01-1 Catalog No: AG0004W6 MDL No:MFCD08457373
Product Description
Catalog Number:
AG0004W6
Chemical Name:
1H-Pyrazol-5-amine, 1-[(4-chlorophenyl)methyl]-4-methyl-
CAS Number:
1015846-01-1
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
MDL Number:
MFCD08457373
IUPAC Name:
2-[(4-chlorophenyl)methyl]-4-methylpyrazol-3-amine
InChI:
InChI=1S/C11H12ClN3/c1-8-6-14-15(11(8)13)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3
InChI Key:
OAYIBJLYOMOQAD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1ncc(c1N)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.688g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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