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1015845-68-7 | 1H-Pyrazol-5-amine, 1-[(2-chlorophenyl)methyl]-4-methyl-
CAS No: 1015845-68-7 Catalog No: AG0004VG MDL No:MFCD08457375
Product Description
Catalog Number:
AG0004VG
Chemical Name:
1H-Pyrazol-5-amine, 1-[(2-chlorophenyl)methyl]-4-methyl-
CAS Number:
1015845-68-7
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
MDL Number:
MFCD08457375
IUPAC Name:
2-[(2-chlorophenyl)methyl]-4-methylpyrazol-3-amine
InChI:
InChI=1S/C11H12ClN3/c1-8-6-14-15(11(8)13)7-9-4-2-3-5-10(9)12/h2-6H,7,13H2,1H3
InChI Key:
KLMAUNDTLYRLNW-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Cn1ncc(c1N)C
Properties
Complexity:
212
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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