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80036-97-1 | Ethanediamide,N1,N1,N2,N2-tetrakis(2-fluoro-2,2-dinitroethyl)-
CAS No: 80036-97-1 Catalog No: AG005DIP MDL No:
Product Description
Catalog Number:
AG005DIP
Chemical Name:
Ethanediamide,N1,N1,N2,N2-tetrakis(2-fluoro-2,2-dinitroethyl)-
CAS Number:
80036-97-1
Molecular Formula:
C10H8F4N10O18
Molecular Weight:
632.2203
IUPAC Name:
N,N,N',N'-tetrakis(2-fluoro-2,2-dinitroethyl)oxamide
InChI:
InChI=1S/C10H8F4N10O18/c11-7(17(27)28,18(29)30)1-15(2-8(12,19(31)32)20(33)34)5(25)6(26)16(3-9(13,21(35)36)22(37)38)4-10(14,23(39)40)24(41)42/h1-4H2
InChI Key:
AZOSRHOOSJBJJY-UHFFFAOYSA-N
SMILES:
O=C(C(=O)N(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F)N(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F
Properties
Complexity:
987
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
631.995g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
632.22g/mol
Monoisotopic Mass:
631.995g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
407A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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