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89814-66-4 | Ethenamine, N-nitro-N-(trifluoromethyl)-
CAS No: 89814-66-4 Catalog No: AG003Z72 MDL No:
Product Description
Catalog Number:
AG003Z72
Chemical Name:
Ethenamine, N-nitro-N-(trifluoromethyl)-
CAS Number:
89814-66-4
Molecular Formula:
C3H3F3N2O2
Molecular Weight:
156.0633
IUPAC Name:
N-ethenyl-N-(trifluoromethyl)nitramide
InChI:
InChI=1S/C3H3F3N2O2/c1-2-7(8(9)10)3(4,5)6/h2H,1H2
InChI Key:
RWDIVDWUXBGZCL-UHFFFAOYSA-N
SMILES:
C=CN(C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.064g/mol
Monoisotopic Mass:
156.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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