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17474-44-1 | Benzenamine, 4,4'-methylenebis[2-nitro-
CAS No: 17474-44-1 Catalog No: AG001ZX4 MDL No:MFCD00168261
Product Description
Catalog Number:
AG001ZX4
Chemical Name:
Benzenamine, 4,4'-methylenebis[2-nitro-
CAS Number:
17474-44-1
Molecular Formula:
C13H12N4O4
Molecular Weight:
288.2588
MDL Number:
MFCD00168261
IUPAC Name:
4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline
InChI:
InChI=1S/C13H12N4O4/c14-10-3-1-8(6-12(10)16(18)19)5-9-2-4-11(15)13(7-9)17(20)21/h1-4,6-7H,5,14-15H2
InChI Key:
WJLPZRZKWVPCMN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N)Cc1ccc(c(c1)[N+](=O)[O-])N
EC Number:
241-489-2
NSC Number:
525981
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.263g/mol
Monoisotopic Mass:
288.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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