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4,4'-Dichlorobenzhydrol

CAT: 0024-sc-352546Size: 5 gDry Ice: NoHazardous: No
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CAS Number
90-97-1

Chemical Information

4,4'-Dichlorobenzhydrol

4,4'-dichlorobenzhydrol is a secondary alcohol that is diphenylmethanol which carries chloro groups at positions 4 and 4'. It is a metabolite of the insecticide DDT. It has a role as a bacterial xenobiotic metabolite. It is a member of benzyl alcohols, a secondary alcohol and a member of monochlorobenzenes. It is functionally related to a diphenylmethanol.

CAS Number90-97-1
PubChem CID7033
IUPAC Namebis(4-chlorophenyl)methanol
Molecular FormulaC13H10Cl2O
Molecular Weight253.12
XLogP4.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity184
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)O)Cl
InChI
InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey
PHUYGURFBULKPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dichlorobenzhydrol
CAS: 90-97-1
CID: 7033
Formula: C13H10Cl2O
MW: 253.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.12
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass252.0108703
Monoisotopic Mass252.0108703
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity184
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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Alternative Products

CatalogName
TRC-D436598-10G4,4'-Dichlorobenzhydrol
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PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
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