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2908-76-1 | Benzenamine, N-(2,4-dinitrophenyl)-2,4-dinitro-
CAS No: 2908-76-1 Catalog No: AG002X9G MDL No:MFCD00374794
Product Description
Catalog Number:
AG002X9G
Chemical Name:
Benzenamine, N-(2,4-dinitrophenyl)-2,4-dinitro-
CAS Number:
2908-76-1
Molecular Formula:
C12H7N5O8
Molecular Weight:
349.2127
MDL Number:
MFCD00374794
IUPAC Name:
N-(2,4-dinitrophenyl)-2,4-dinitroaniline
InChI:
InChI=1S/C12H7N5O8/c18-14(19)7-1-3-9(11(5-7)16(22)23)13-10-4-2-8(15(20)21)6-12(10)17(24)25/h1-6,13H
InChI Key:
UHWJMXASZSKFEO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
EC Number:
220-820-4
NSC Number:
37571
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.029g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.215g/mol
Monoisotopic Mass:
349.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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