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898761-98-3 | 3-(4-Bromophenyl)-3',4'-difluoropropiophenone
CAS No: 898761-98-3 Catalog No: AG01EYVQ MDL No:
Product Description
Catalog Number:
AG01EYVQ
Chemical Name:
3-(4-Bromophenyl)-3',4'-difluoropropiophenone
CAS Number:
898761-98-3
Molecular Formula:
C15H11BrF2O
Molecular Weight:
325.1480
IUPAC Name:
3-(4-bromophenyl)-1-(3,4-difluorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrF2O/c16-12-5-1-10(2-6-12)3-8-15(19)11-4-7-13(17)14(18)9-11/h1-2,4-7,9H,3,8H2
InChI Key:
WUDYHGUMMCYDDS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
303
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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