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141765-69-7 | Methanone, (9,10-dibromo-2,3-anthracenediyl)bis[phenyl- (9CI)
CAS No: 141765-69-7 Catalog No: AG001H0H MDL No:
Product Description
Catalog Number:
AG001H0H
Chemical Name:
Methanone, (9,10-dibromo-2,3-anthracenediyl)bis[phenyl- (9CI)
CAS Number:
141765-69-7
Molecular Formula:
C28H16Br2O2
Molecular Weight:
544.2334
IUPAC Name:
(3-benzoyl-9,10-dibromoanthracen-2-yl)-phenylmethanone
InChI:
InChI=1S/C28H16Br2O2/c29-25-19-13-7-8-14-20(19)26(30)22-16-24(28(32)18-11-5-2-6-12-18)23(15-21(22)25)27(31)17-9-3-1-4-10-17/h1-16H
InChI Key:
ABAYCVATEUTNOW-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(Br)c3ccccc3c(c2cc1C(=O)c1ccccc1)Br)c1ccccc1
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
543.95g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.242g/mol
Monoisotopic Mass:
541.952g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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