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(2-Fluorophenyl) (3-methylphenyl) methanone

CAT: 0127-PC1021850-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1021850-01Size:500 mg
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CAS Number
726158-58-3
Purity
95%
Smiles
C (=O) (c1cc (C) ccc1) c1c (F) cccc1

Chemical Information

(2-Fluorophenyl)(3-methylphenyl)methanone
CAS Number726158-58-3
PubChem CID62502290
IUPAC Name(2-fluorophenyl)-(3-methylphenyl)methanone
Molecular FormulaC14H11FO
Molecular Weight214.23
XLogP3.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity251
SMILES
CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2F
InChI
InChI=1S/C14H11FO/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15/h2-9H,1H3
InChIKey
AMMAAOHBRQPRQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Fluorophenyl)(3-methylphenyl)methanone
CAS: 726158-58-3
CID: 62502290
Formula: C14H11FO
MW: 214.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.23
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass214.079393132
Monoisotopic Mass214.079393132
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity251
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