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24914-59-8 | Benzenamine, N-ethoxy-2,4,6-trinitro-
CAS No: 24914-59-8 Catalog No: AG002PUX MDL No:
Product Description
Catalog Number:
AG002PUX
Chemical Name:
Benzenamine, N-ethoxy-2,4,6-trinitro-
CAS Number:
24914-59-8
Molecular Formula:
C8H8N4O7
Molecular Weight:
272.1717
IUPAC Name:
N-ethoxy-2,4,6-trinitroaniline
InChI:
InChI=1S/C8H8N4O7/c1-2-19-9-8-6(11(15)16)3-5(10(13)14)4-7(8)12(17)18/h3-4,9H,2H2,1H3
InChI Key:
BNFIXTOHCBELDA-UHFFFAOYSA-N
SMILES:
CCONc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.173g/mol
Monoisotopic Mass:
272.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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