Home Halogens Benzonitrile, 3-chloro-4-(1-piperazinyl)-

Benzonitrile, 3-chloro-4-(1-piperazinyl)-

CAS No.:
182181-32-4
Catalog Number:
AG00I15V
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
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Product Description
Catalog Number:
AG00I15V
Chemical Name:
Benzonitrile, 3-chloro-4-(1-piperazinyl)-
CAS Number:
182181-32-4
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
MDL Number:
MFCD11038625
IUPAC Name:
3-chloro-4-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12ClN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChI Key:
MXPSPUJYQPNITO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)N1CCNCC1
Properties
Complexity:
254  
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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.688g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties