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111373-03-6

111373-03-6 | 1-(2-Cyanophenyl)piperazine

CAS No: 111373-03-6 Catalog No: AG003CU7 MDL No:MFCD00040793

Product Description

Catalog Number:
AG003CU7
Chemical Name:
1-(2-Cyanophenyl)piperazine
CAS Number:
111373-03-6
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD00040793
IUPAC Name:
2-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C11H13N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChI Key:
FRICBZWJFIRJOB-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CCNCC1

Properties

Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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