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116412-90-9 | Methanone, (4-bromophenyl)(3,4-dimethoxyphenyl)-
CAS No: 116412-90-9 Catalog No: AG000CEY MDL No:MFCD02127292
Product Description
Catalog Number:
AG000CEY
Chemical Name:
Methanone, (4-bromophenyl)(3,4-dimethoxyphenyl)-
CAS Number:
116412-90-9
Molecular Formula:
C15H13BrO3
Molecular Weight:
321.1659
MDL Number:
MFCD02127292
IUPAC Name:
(4-bromophenyl)-(3,4-dimethoxyphenyl)methanone
InChI:
InChI=1S/C15H13BrO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChI Key:
JJNXGNYHLQVEAC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)c1ccc(cc1)Br
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.17g/mol
Monoisotopic Mass:
320.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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