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10156-48-6 | Benzenamine, N,N-diethyl-2,6-dinitro-
CAS No: 10156-48-6 Catalog No: AG0004SO MDL No:
Product Description
Catalog Number:
AG0004SO
Chemical Name:
Benzenamine, N,N-diethyl-2,6-dinitro-
CAS Number:
10156-48-6
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
IUPAC Name:
N,N-diethyl-2,6-dinitroaniline
InChI:
InChI=1S/C10H13N3O4/c1-3-11(4-2)10-8(12(14)15)6-5-7-9(10)13(16)17/h5-7H,3-4H2,1-2H3
InChI Key:
DKFIUBYKVVDQLY-UHFFFAOYSA-N
SMILES:
CCN(c1c(cccc1[N+](=O)[O-])[N+](=O)[O-])CC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.231g/mol
Monoisotopic Mass:
239.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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