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137839-66-8 | 1,1':2',1''-Terphenyl, 4-bromo-4'-(4-bromophenyl)-4''-methoxy-3'-phenyl- (9CI)
CAS No: 137839-66-8 Catalog No: AG0013XP MDL No:
Product Description
Catalog Number:
AG0013XP
Chemical Name:
1,1':2',1''-Terphenyl, 4-bromo-4'-(4-bromophenyl)-4''-methoxy-3'-phenyl- (9CI)
CAS Number:
137839-66-8
Molecular Formula:
C31H22Br2O
Molecular Weight:
570.3138
IUPAC Name:
1,4-bis(4-bromophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
InChI:
InChI=1S/C31H22Br2O/c1-34-27-17-11-24(12-18-27)31-29(22-9-15-26(33)16-10-22)20-19-28(21-7-13-25(32)14-8-21)30(31)23-5-3-2-4-6-23/h2-20H,1H3
InChI Key:
VHBDOHUJNYKICP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(c2ccccc2)c(ccc1c1ccc(cc1)Br)c1ccc(cc1)Br
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.002g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.324g/mol
Monoisotopic Mass:
568.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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