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29398-96-7 | [1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-
CAS No: 29398-96-7 Catalog No: AG002Y8W MDL No:
Product Description
Catalog Number:
AG002Y8W
Chemical Name:
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-
CAS Number:
29398-96-7
Molecular Formula:
C26H20N6O10
Molecular Weight:
576.4712
IUPAC Name:
4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
InChI:
InChI=1S/C26H20N6O10/c1-41-25-11-15(3-7-21(25)27-19-9-5-17(29(33)34)13-23(19)31(37)38)16-4-8-22(26(12-16)42-2)28-20-10-6-18(30(35)36)14-24(20)32(39)40/h3-14,27-28H,1-2H3
InChI Key:
JIHCTUPQGPSRBD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(c(c1)OC)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
249-605-3
Properties
Complexity:
891
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.124g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
576.478g/mol
Monoisotopic Mass:
576.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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