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163301-93-7 | Methanone, 1,1'-(1,3-phenylene)bis[1-[4-(bromomethyl)phenyl]-
CAS No: 163301-93-7 Catalog No: AG001U0R MDL No:
Product Description
Catalog Number:
AG001U0R
Chemical Name:
Methanone, 1,1'-(1,3-phenylene)bis[1-[4-(bromomethyl)phenyl]-
CAS Number:
163301-93-7
Molecular Formula:
C22H16Br2O2
Molecular Weight:
472.1692
IUPAC Name:
[3-[4-(bromomethyl)benzoyl]phenyl]-[4-(bromomethyl)phenyl]methanone
InChI:
InChI=1S/C22H16Br2O2/c23-13-15-4-8-17(9-5-15)21(25)19-2-1-3-20(12-19)22(26)18-10-6-16(14-24)7-11-18/h1-12H,13-14H2
InChI Key:
STGDRUXCMGMECR-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(=O)c1cccc(c1)C(=O)c1ccc(cc1)CBr
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.95g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.176g/mol
Monoisotopic Mass:
469.952g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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