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24538-60-1 | 1-Butanone, 1-[3,4-bis(phenylmethoxy)phenyl]-2-bromo-
CAS No: 24538-60-1 Catalog No: AG002OGU MDL No:
Product Description
Catalog Number:
AG002OGU
Chemical Name:
1-Butanone, 1-[3,4-bis(phenylmethoxy)phenyl]-2-bromo-
CAS Number:
24538-60-1
Molecular Formula:
C24H23BrO3
Molecular Weight:
439.3416
IUPAC Name:
1-[3,4-bis(phenylmethoxy)phenyl]-2-bromobutan-1-one
InChI:
InChI=1S/C24H23BrO3/c1-2-21(25)24(26)20-13-14-22(27-16-18-9-5-3-6-10-18)23(15-20)28-17-19-11-7-4-8-12-19/h3-15,21H,2,16-17H2,1H3
InChI Key:
KNOWDHPHAZOWLT-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)Br
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.083g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.349g/mol
Monoisotopic Mass:
438.083g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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