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844879-47-6 | 3-BROMO-3',5'-DIMETHYL-4'-METHOXYBENZOPHENONE
CAS No: 844879-47-6 Catalog No: AG004VSL MDL No:MFCD06201470
Product Description
Catalog Number:
AG004VSL
Chemical Name:
3-BROMO-3',5'-DIMETHYL-4'-METHOXYBENZOPHENONE
CAS Number:
844879-47-6
Molecular Formula:
C16H15BrO2
Molecular Weight:
319.1931
MDL Number:
MFCD06201470
IUPAC Name:
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
InChI:
InChI=1S/C16H15BrO2/c1-10-7-13(8-11(2)16(10)19-3)15(18)12-5-4-6-14(17)9-12/h4-9H,1-3H3
InChI Key:
KWFIRZWGVDVOOF-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C(=O)c1cccc(c1)Br
Properties
Complexity:
306
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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