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2- (3,4-Difluorophenyl) -4'-methylacetophenone

CAT: 0127-PC421005Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC421005Size:1 Each
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CAS Number
1504609-61-3
MDL Number
MFCD23417260
Purity
=95%
Smiles
Cc1ccc(cc1)C(=O)Cc2ccc(F)c(F)c2

Chemical Information

2-(3,4-Difluorophenyl)-1-(p-tolyl)ethanone
CAS Number1504609-61-3
PubChem CID80372259
IUPAC Name2-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanone
Molecular FormulaC15H12F2O
Molecular Weight246.25
XLogP3.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity284
SMILES
CC1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C15H12F2O/c1-10-2-5-12(6-3-10)15(18)9-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3
InChIKey
CWUPYTWOQQYKRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Difluorophenyl)-1-(p-tolyl)ethanone
CAS: 1504609-61-3
CID: 80372259
Formula: C15H12F2O
MW: 246.25
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight246.25
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass246.08562133
Monoisotopic Mass246.08562133
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes