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898754-67-1 | 4'-Bromo-3-(2,6-dimethylphenyl)propiophenone
CAS No: 898754-67-1 Catalog No: AG01EYT8 MDL No:
Product Description
Catalog Number:
AG01EYT8
Chemical Name:
4'-Bromo-3-(2,6-dimethylphenyl)propiophenone
CAS Number:
898754-67-1
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
IUPAC Name:
1-(4-bromophenyl)-3-(2,6-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17BrO/c1-12-4-3-5-13(2)16(12)10-11-17(19)14-6-8-15(18)9-7-14/h3-9H,10-11H2,1-2H3
InChI Key:
ZUQKXOQYKGRVMF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)CCc1c(C)cccc1C
Properties
Complexity:
284
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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