Home Nitros 4,4'-Methylenebis(2-nitroaniline)

4,4'-Methylenebis(2-nitroaniline)

CAS No.:
17474-44-1
Catalog Number:
AG001ZX4
Molecular Formula:
C13H12N4O4
Molecular Weight:
288.2588
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$209
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Product Description
Catalog Number:
AG001ZX4
Chemical Name:
4,4'-Methylenebis(2-nitroaniline)
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  
Properties