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Home > Nitro Compounds > 852461-38-2
852461-38-2 | 1,1':4',1''-Terphenyl, 4,4''-bis[2,2-bis(3-nitrophenyl)ethenyl]-
CAS No: 852461-38-2 Catalog No: AG004V7S MDL No:
Product Description
Catalog Number:
AG004V7S
Chemical Name:
1,1':4',1''-Terphenyl, 4,4''-bis[2,2-bis(3-nitrophenyl)ethenyl]-
CAS Number:
852461-38-2
Molecular Formula:
C46H30N4O8
Molecular Weight:
766.7524
IUPAC Name:
1-[2-[4-[4-[4-[2,2-bis(3-nitrophenyl)ethenyl]phenyl]phenyl]phenyl]-1-(3-nitrophenyl)ethenyl]-3-nitrobenzene
InChI:
InChI=1S/C46H30N4O8/c51-47(52)41-9-1-5-37(27-41)45(38-6-2-10-42(28-38)48(53)54)25-31-13-17-33(18-14-31)35-21-23-36(24-22-35)34-19-15-32(16-20-34)26-46(39-7-3-11-43(29-39)49(55)56)40-8-4-12-44(30-40)50(57)58/h1-30H
InChI Key:
VXHHKSVSGQEZRJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C(=Cc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C=C(c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
766.206g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
766.766g/mol
Monoisotopic Mass:
766.206g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.8
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