Home Nitriles 3-(2H-Tetrazol-5-yl)benzonitrile

3-(2H-Tetrazol-5-yl)benzonitrile

CAS No.:
50907-33-0
Catalog Number:
AG006VD9
Molecular Formula:
C8H5N5
Molecular Weight:
171.1588
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$235
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Product Description
Catalog Number:
AG006VD9
Chemical Name:
3-(2H-Tetrazol-5-yl)benzonitrile
CAS Number:
50907-33-0
Molecular Formula:
C8H5N5
Molecular Weight:
171.1588
MDL Number:
MFCD06797249
IUPAC Name:
3-(2H-tetrazol-5-yl)benzonitrile
InChI:
InChI=1S/C8H5N5/c9-5-6-2-1-3-7(4-6)8-10-12-13-11-8/h1-4H,(H,10,11,12,13)
InChI Key:
RFUUHOIIHXKYOQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1n[nH]nn1
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:
1  
Isotope Atom Count:
0
Molecular Weight:
171.163g/mol
Monoisotopic Mass:
171.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties