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2-(2-Chlorobenzoyloxy)acetophenone

CAT: 0572-TRC-C463410-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C463410-500MGSize:500 mg
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CAS Number
84634-61-7
Synonyms
2-Acetylphenyl 2-Chlorobenzoate
Hazard Statement
No Data Available
Smiles
CC(=O)c1ccccc1OC(=O)c2ccccc2Cl
Molecular Formula
C15H11ClO3
Molecular Weight
274.7
Shipping Conditions
Room Temperature

Chemical Information

2-Acetylphenyl 2-chlorobenzoate
CAS Number84634-61-7
PubChem CID587399
IUPAC Name(2-acetylphenyl) 2-chlorobenzoate
Molecular FormulaC15H11ClO3
Molecular Weight274.70
XLogP3.6
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity342
SMILES
CC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H11ClO3/c1-10(17)11-6-3-5-9-14(11)19-15(18)12-7-2-4-8-13(12)16/h2-9H,1H3
InChIKey
MMUCFGXPKJKSGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetylphenyl 2-chlorobenzoate
CAS: 84634-61-7
CID: 587399
Formula: C15H11ClO3
MW: 274.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.70
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass274.0396719
Monoisotopic Mass274.0396719
Topological Polar Surface Area43.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity342
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

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