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4- (2-Chloroethoxy) benzophenone

CAT: 0024-sc-504898Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-504898Size:250 mg
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CAS Number
3439-73-4

Chemical Information

4-(2-Chloroethoxy)benzophenone
CAS Number3439-73-4
PubChem CID11953372
IUPAC Name[4-(2-chloroethoxy)phenyl]-phenylmethanone
Molecular FormulaC15H13ClO2
Molecular Weight260.71
XLogP4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity253
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCl
InChI
InChI=1S/C15H13ClO2/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
JDXBAJHRIRDYNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Chloroethoxy)benzophenone
CAS: 3439-73-4
CID: 11953372
Formula: C15H13ClO2
MW: 260.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight260.71
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass260.0604073
Monoisotopic Mass260.0604073
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity253
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