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898761-37-0 | 3-(4-Bromophenyl)-3'-fluoropropiophenone
CAS No: 898761-37-0 Catalog No: AG01EYV0 MDL No:
Product Description
Catalog Number:
AG01EYV0
Chemical Name:
3-(4-Bromophenyl)-3'-fluoropropiophenone
CAS Number:
898761-37-0
Molecular Formula:
C15H12BrFO
Molecular Weight:
307.1576
IUPAC Name:
3-(4-bromophenyl)-1-(3-fluorophenyl)propan-1-one
InChI:
InChI=1S/C15H12BrFO/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-5,7-8,10H,6,9H2
InChI Key:
JWXXJLCEFKMYPW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1cccc(c1)F
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.006g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.162g/mol
Monoisotopic Mass:
306.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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