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Home > Nitro Compounds > 101945-48-6
101945-48-6 | Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl-
CAS No: 101945-48-6 Catalog No: AG00061E MDL No:
Product Description
Catalog Number:
AG00061E
Chemical Name:
Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl-
CAS Number:
101945-48-6
Molecular Formula:
C28H18N2O4S
Molecular Weight:
478.5185
IUPAC Name:
2,5-bis(4-nitrophenyl)-3,4-diphenylthiophene
InChI:
InChI=1S/C28H18N2O4S/c31-29(32)23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)28(35-27)22-13-17-24(18-14-22)30(33)34/h1-18H
InChI Key:
ZKHMOKXRSFHHFD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1sc(c(c1c1ccccc1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.099g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.522g/mol
Monoisotopic Mass:
478.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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