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17518-01-3 | 1-Propanone, 1-[3,4-bis(phenylmethoxy)phenyl]-2-bromo-
CAS No: 17518-01-3 Catalog No: AG0020DW MDL No:
Product Description
Catalog Number:
AG0020DW
Chemical Name:
1-Propanone, 1-[3,4-bis(phenylmethoxy)phenyl]-2-bromo-
CAS Number:
17518-01-3
Molecular Formula:
C23H21BrO3
Molecular Weight:
425.3150
IUPAC Name:
1-[3,4-bis(phenylmethoxy)phenyl]-2-bromopropan-1-one
InChI:
InChI=1S/C23H21BrO3/c1-17(24)23(25)20-12-13-21(26-15-18-8-4-2-5-9-18)22(14-20)27-16-19-10-6-3-7-11-19/h2-14,17H,15-16H2,1H3
InChI Key:
OKPAHLQTOTYLSG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)C(Br)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.067g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.322g/mol
Monoisotopic Mass:
424.067g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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