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898769-85-2 | 3'-Bromo-3-(2-methoxyphenyl)propiophenone
CAS No: 898769-85-2 Catalog No: AG01EYW6 MDL No:
Product Description
Catalog Number:
AG01EYW6
Chemical Name:
3'-Bromo-3-(2-methoxyphenyl)propiophenone
CAS Number:
898769-85-2
Molecular Formula:
C16H15BrO2
Molecular Weight:
319.1931
IUPAC Name:
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO2/c1-19-16-8-3-2-5-12(16)9-10-15(18)13-6-4-7-14(17)11-13/h2-8,11H,9-10H2,1H3
InChI Key:
IDTRVSWYPXXZIA-UHFFFAOYSA-N
SMILES:
COc1ccccc1CCC(=O)c1cccc(c1)Br
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.198g/mol
Monoisotopic Mass:
318.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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