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898761-01-8 | 3-(4-Bromophenyl)-2'-methyoxypropiophenone
CAS No: 898761-01-8 Catalog No: AG01EYUN MDL No:
Product Description
Catalog Number:
AG01EYUN
Chemical Name:
3-(4-Bromophenyl)-2'-methyoxypropiophenone
CAS Number:
898761-01-8
Molecular Formula:
C16H15BrO2
Molecular Weight:
319.1931
IUPAC Name:
3-(4-bromophenyl)-1-(2-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO2/c1-19-16-5-3-2-4-14(16)15(18)11-8-12-6-9-13(17)10-7-12/h2-7,9-10H,8,11H2,1H3
InChI Key:
ZXAUGTTULHEKLQ-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=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:
4.4
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