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898782-06-4 | 3-(3-Bromophenyl)-4'-methoxypropiophenone
CAS No: 898782-06-4 Catalog No: AG01EYX2 MDL No:
Product Description
Catalog Number:
AG01EYX2
Chemical Name:
3-(3-Bromophenyl)-4'-methoxypropiophenone
CAS Number:
898782-06-4
Molecular Formula:
C16H15BrO2
Molecular Weight:
319.1931
IUPAC Name:
3-(3-bromophenyl)-1-(4-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO2/c1-19-15-8-6-13(7-9-15)16(18)10-5-12-3-2-4-14(17)11-12/h2-4,6-9,11H,5,10H2,1H3
InChI Key:
FSPSQQDSZUVFAU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CCc1cccc(c1)Br
Properties
Complexity:
285
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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