Home Nitriles 4-(pyrazin-2-yl)benzonitrile

4-(pyrazin-2-yl)benzonitrile

CAS No.:
143526-42-5
Catalog Number:
AG01C2O4
Molecular Formula:
C11H7N3
Molecular Weight:
181.1934
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Product Description
Catalog Number:
AG01C2O4
Chemical Name:
4-(pyrazin-2-yl)benzonitrile
CAS Number:
143526-42-5
Molecular Formula:
C11H7N3
Molecular Weight:
181.1934
MDL Number:
MFCD29487726
IUPAC Name:
4-pyrazin-2-ylbenzonitrile
InChI:
InChI=1S/C11H7N3/c12-7-9-1-3-10(4-2-9)11-8-13-5-6-14-11/h1-6,8H
InChI Key:
FRPTVBMFZHOJAC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nccnc1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.198g/mol
Monoisotopic Mass:
181.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties