Home Halogens 5-chloro-1H-1,2,3-triazole-4-carbonitrile

5-chloro-1H-1,2,3-triazole-4-carbonitrile

CAS No.:
88474-32-2
Catalog Number:
AG01C212
Molecular Formula:
C3HClN4
Molecular Weight:
128.5198
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Product Description
Catalog Number:
AG01C212
Chemical Name:
5-chloro-1H-1,2,3-triazole-4-carbonitrile
CAS Number:
88474-32-2
Molecular Formula:
C3HClN4
Molecular Weight:
128.5198
MDL Number:
MFCD00473314
IUPAC Name:
5-chloro-2H-triazole-4-carbonitrile
InChI:
InChI=1S/C3HClN4/c4-3-2(1-5)6-8-7-3/h(H,6,7,8)
InChI Key:
FXURSNQKZJOZMH-UHFFFAOYSA-N
SMILES:
Clc1c(nn[nH]1)C#N
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.989g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.519g/mol
Monoisotopic Mass:
127.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties