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898760-24-2 | 3-(3-bromophenyl)-2',5'-dimethylpropiophenone
CAS No: 898760-24-2 Catalog No: AG01EYTQ MDL No:
Product Description
Catalog Number:
AG01EYTQ
Chemical Name:
3-(3-bromophenyl)-2',5'-dimethylpropiophenone
CAS Number:
898760-24-2
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
IUPAC Name:
3-(3-bromophenyl)-1-(2,5-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17BrO/c1-12-6-7-13(2)16(10-12)17(19)9-8-14-4-3-5-15(18)11-14/h3-7,10-11H,8-9H2,1-2H3
InChI Key:
RPPINRGGRISFEC-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)CCc1cccc(c1)Br)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.226g/mol
Monoisotopic Mass:
316.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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