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898761-03-0 | 3-(4-Bromophenyl)-3'-methyoxypropiophenone
CAS No: 898761-03-0 Catalog No: AG01EYUO MDL No:
Product Description
Catalog Number:
AG01EYUO
Chemical Name:
3-(4-Bromophenyl)-3'-methyoxypropiophenone
CAS Number:
898761-03-0
Molecular Formula:
C16H15BrO2
Molecular Weight:
319.1931
IUPAC Name:
3-(4-bromophenyl)-1-(3-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO2/c1-19-15-4-2-3-13(11-15)16(18)10-7-12-5-8-14(17)9-6-12/h2-6,8-9,11H,7,10H2,1H3
InChI Key:
NGWVLSASVXCWON-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)CCc1ccc(cc1)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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