Home Nitros 1-(difluoromethyl)-3-nitro-1H-1,2,4-triazole

1-(difluoromethyl)-3-nitro-1H-1,2,4-triazole

CAS No.:
2137653-18-8
Catalog Number:
AG01EIMX
Molecular Formula:
C3H2F2N4O2
Molecular Weight:
164.0704
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Product Description
Catalog Number:
AG01EIMX
Chemical Name:
1-(difluoromethyl)-3-nitro-1H-1,2,4-triazole
CAS Number:
2137653-18-8
Molecular Formula:
C3H2F2N4O2
Molecular Weight:
164.0704
MDL Number:
MFCD31559387
IUPAC Name:
1-(difluoromethyl)-3-nitro-1,2,4-triazole
InChI:
InChI=1S/C3H2F2N4O2/c4-2(5)8-1-6-3(7-8)9(10)11/h1-2H
InChI Key:
YSBGCZYHAOFRJE-UHFFFAOYSA-N
SMILES:
FC(n1cnc(n1)[N+](=O)[O-])F
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.072g/mol
Monoisotopic Mass:
164.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties