Home Halogens 2-(4-chlorophenyl)-2-(1H-pyrazol-1-yl)ethan-1-amine

2-(4-chlorophenyl)-2-(1H-pyrazol-1-yl)ethan-1-amine

CAS No.:
1251104-96-7
Catalog Number:
AG019YPC
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
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Product Description
Catalog Number:
AG019YPC
Chemical Name:
2-(4-chlorophenyl)-2-(1H-pyrazol-1-yl)ethan-1-amine
CAS Number:
1251104-96-7
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
MDL Number:
MFCD16062104
IUPAC Name:
2-(4-chlorophenyl)-2-pyrazol-1-ylethanamine
InChI:
InChI=1S/C11H12ClN3/c12-10-4-2-9(3-5-10)11(8-13)15-7-1-6-14-15/h1-7,11H,8,13H2
InChI Key:
VRLSQDSJKPKWDD-UHFFFAOYSA-N
SMILES:
NCC(n1cccn1)c1ccc(cc1)Cl
Properties
Complexity:
192  
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:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties