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20020-15-9 | Benzenamine, N,2,4-trinitro-
CAS No: 20020-15-9 Catalog No: AG002CLT MDL No:
Product Description
Catalog Number:
AG002CLT
Chemical Name:
Benzenamine, N,2,4-trinitro-
CAS Number:
20020-15-9
Molecular Formula:
C6H4N4O6
Molecular Weight:
228.1192
IUPAC Name:
N-(2,4-dinitrophenyl)nitramide
InChI:
InChI=1S/C6H4N4O6/c11-8(12)4-1-2-5(7-10(15)16)6(3-4)9(13)14/h1-3,7H
InChI Key:
XUVQYMDXKHDBKK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.12g/mol
Monoisotopic Mass:
228.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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