Home Nitriles 3-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile

3-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile

CAS No.:
1291486-07-1
Catalog Number:
AG01C3OO
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01C3OO
Chemical Name:
3-(1H-1,2,3,4-tetrazol-1-yl)benzonitrile
CAS Number:
1291486-07-1
MDL Number:
MFCD23703718
IUPAC Name:
3-(tetrazol-1-yl)benzonitrile
InChI:
InChI=1S/C8H5N5/c9-5-7-2-1-3-8(4-7)13-6-10-11-12-13/h1-4,6H
InChI Key:
PKRSGNRLLIKPLT-UHFFFAOYSA-N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.163g/mol
Monoisotopic Mass:
171.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties