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898760-81-1 | 3-(3-Bromophenyl)-3',5'-difluoropropiophenone
CAS No: 898760-81-1 Catalog No: AG01EYUD MDL No:
Product Description
Catalog Number:
AG01EYUD
Chemical Name:
3-(3-Bromophenyl)-3',5'-difluoropropiophenone
CAS Number:
898760-81-1
Molecular Formula:
C15H11BrF2O
Molecular Weight:
325.1480
IUPAC Name:
3-(3-bromophenyl)-1-(3,5-difluorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrF2O/c16-12-3-1-2-10(6-12)4-5-15(19)11-7-13(17)9-14(18)8-11/h1-3,6-9H,4-5H2
InChI Key:
CMBRBSIPWHMENK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1cc(F)cc(c1)F
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.153g/mol
Monoisotopic Mass:
323.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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