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2-Chloroethyl Benzhydryl Ether

CAT: 0572-TRC-C366025-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C366025-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32669-06-0
Synonyms
Benzhydryl 2-Chloroethyl Ether; 2-Chloroethyl Diphenylmethyl Ether; 1,1'-[(2-Chloroethoxy)methylene]bis[benzene]; 1,1'-[(2-chloroethoxy)methylene]bis-benzene;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
ClCCOC(c1ccccc1)c2ccccc2
Molecular Formula
C15H15ClO
Molecular Weight
246.73
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzhydryl 2-chloroethyl ether
CAS Number32669-06-0
PubChem CID141724
IUPAC Name[2-chloroethoxy(phenyl)methyl]benzene
Molecular FormulaC15H15ClO
Molecular Weight246.73
XLogP3.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity177
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCCl
InChI
InChI=1S/C15H15ClO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey
ZNVASENTCOLNJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzhydryl 2-chloroethyl ether
CAS: 32669-06-0
CID: 141724
Formula: C15H15ClO
MW: 246.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.73
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass246.0811428
Monoisotopic Mass246.0811428
Topological Polar Surface Area9.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity177
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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