Home Nitriles 4-(1H-1,3-benzodiazol-1-yl)benzonitrile

4-(1H-1,3-benzodiazol-1-yl)benzonitrile

CAS No.:
25699-95-0
Catalog Number:
AG01A7QW
Molecular Formula:
C14H9N3
Molecular Weight:
219.2414
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Product Description
Catalog Number:
AG01A7QW
Chemical Name:
4-(1H-1,3-benzodiazol-1-yl)benzonitrile
CAS Number:
25699-95-0
Molecular Formula:
C14H9N3
Molecular Weight:
219.2414
MDL Number:
MFCD11135580
IUPAC Name:
4-(benzimidazol-1-yl)benzonitrile
InChI:
InChI=1S/C14H9N3/c15-9-11-5-7-12(8-6-11)17-10-16-13-3-1-2-4-14(13)17/h1-8,10H
InChI Key:
XAQRIJONSMHWCJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1cnc2c1cccc2
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.247g/mol
Monoisotopic Mass:
219.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties