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898760-99-1 | 3-(4-Bromophenyl)-4'-methylpropiophenone
CAS No: 898760-99-1 Catalog No: AG01EYUM MDL No:
Product Description
Catalog Number:
AG01EYUM
Chemical Name:
3-(4-Bromophenyl)-4'-methylpropiophenone
CAS Number:
898760-99-1
Molecular Formula:
C16H15BrO
Molecular Weight:
303.1937
IUPAC Name:
3-(4-bromophenyl)-1-(4-methylphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-5,7-10H,6,11H2,1H3
InChI Key:
GGHCDQGKIWONCT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)CCc1ccc(cc1)Br
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.199g/mol
Monoisotopic Mass:
302.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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