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4-Chlorobenzhydrol

CAT: 0572-TRC-C364490-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C364490-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119-56-2
Synonyms
Meclozine Hydrochloride Imp. B (EP); Meclozine Imp. B (EP); Meclizine USP Related Compound A; Meclizine USP RC A; (RS)-(4-Chlorophenyl)phenylmethanol; 4-Chlorobenzhydrol; Meclizine Related Compound A; Meclozine Dihydrochloride Impurity B; Meclozine Impurity B
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
OC(c1ccccc1)c2ccc(Cl)cc2
Molecular Formula
C13 H11 Cl O
Molecular Weight
218.68
InChI
InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H
Additionnal Information
IUPAC name: (4-chlorophenyl)-phenylmethanol
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

4-Chlorobenzhydrol

P-Chlorobenzhydrol is a diarylmethane.

CAS Number119-56-2
PubChem CID8401
IUPAC Name(4-chlorophenyl)-phenylmethanol
Molecular FormulaC13H11ClO
Molecular Weight218.68
XLogP3.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity181
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H
InChIKey
AJYOOHCNOXWTKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorobenzhydrol
CAS: 119-56-2
CID: 8401
Formula: C13H11ClO
MW: 218.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.68
XLogP33.3
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
Complexity181
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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