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25150-04-3 | Benzenamine, N,2,4,6-tetranitro-N-(2,2,2-trifluoroethyl)-
CAS No: 25150-04-3 Catalog No: AG002QN2 MDL No:
Product Description
Catalog Number:
AG002QN2
Chemical Name:
Benzenamine, N,2,4,6-tetranitro-N-(2,2,2-trifluoroethyl)-
CAS Number:
25150-04-3
Molecular Formula:
C8H4F3N5O8
Molecular Weight:
355.1413
IUPAC Name:
N-(2,2,2-trifluoroethyl)-N-(2,4,6-trinitrophenyl)nitramide
InChI:
InChI=1S/C8H4F3N5O8/c9-8(10,11)3-12(16(23)24)7-5(14(19)20)1-4(13(17)18)2-6(7)15(21)22/h1-2H,3H2
InChI Key:
UKBAKNSGSKTAKH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])CC(F)(F)F
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.001g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.142g/mol
Monoisotopic Mass:
355.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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