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Home > Nitro Compounds > 139678-07-2
139678-07-2 | Methanone, [1,1':4',1''-terphenyl]-4,4''-diylbis[(4-nitrophenyl)- (9CI)
CAS No: 139678-07-2 Catalog No: AG001BHS MDL No:
Product Description
Catalog Number:
AG001BHS
Chemical Name:
Methanone, [1,1':4',1''-terphenyl]-4,4''-diylbis[(4-nitrophenyl)- (9CI)
CAS Number:
139678-07-2
Molecular Formula:
C32H20N2O6
Molecular Weight:
528.5110
IUPAC Name:
[4-[4-[4-(4-nitrobenzoyl)phenyl]phenyl]phenyl]-(4-nitrophenyl)methanone
InChI:
InChI=1S/C32H20N2O6/c35-31(27-13-17-29(18-14-27)33(37)38)25-9-5-23(6-10-25)21-1-2-22(4-3-21)24-7-11-26(12-8-24)32(36)28-15-19-30(20-16-28)34(39)40/h1-20H
InChI Key:
ALCYENDLHKTYOI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
813
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.132g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.52g/mol
Monoisotopic Mass:
528.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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