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Home Halogens 1-[(2-chloro-4-methylphenyl)methyl]-1H-pyrazol-4-amine

1-[(2-chloro-4-methylphenyl)methyl]-1H-pyrazol-4-amine

CAS No.:
1695769-33-5
Catalog Number:
AG01C3W0
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
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Product Description
Catalog Number:
AG01C3W0
Chemical Name:
1-[(2-chloro-4-methylphenyl)methyl]-1H-pyrazol-4-amine
CAS Number:
1695769-33-5
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
MDL Number:
MFCD29906853
IUPAC Name:
1-[(2-chloro-4-methylphenyl)methyl]pyrazol-4-amine
InChI:
InChI=1S/C11H12ClN3/c1-8-2-3-9(11(12)4-8)6-15-7-10(13)5-14-15/h2-5,7H,6,13H2,1H3
InChI Key:
SZVVGZHPXGMUEB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)Cn1ncc(c1)N
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:
2.1  
Properties