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(3-Chlorophenyl)(phenyl)methanol

CAT: 0572-TRC-B405168-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B405168-500MGSize:500 mg
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CAS Number
63012-03-3
Synonyms
3-Chloro-α-phenylbenzenemethanol; (3-Chlorophenyl)phenylmethanol; (±)-(3-Chlorophenyl)phenylmethanol; 3-Chlorobenzhydrol; 3-Chlorodiphenylmethanol;
Hazard Statement
No Data Available
Smiles
OC(c1ccccc1)c2cccc(Cl)c2
Molecular Formula
C13H11OCl
Molecular Weight
218.67
Shipping Conditions
Room Temperature

Chemical Information

(3-Chlorophenyl)(phenyl)methanol
CAS Number63012-03-3
PubChem CID569907
IUPAC Name(3-chlorophenyl)-phenylmethanol
Molecular FormulaC13H11ClO
Molecular Weight218.68
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity189
SMILES
C1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C13H11ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H
InChIKey
DDCJHFYXAPQYLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Chlorophenyl)(phenyl)methanol
CAS: 63012-03-3
CID: 569907
Formula: C13H11ClO
MW: 218.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.68
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass218.0498427
Monoisotopic Mass218.0498427
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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