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Dicofol

CAT: 0926-FD21718-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FD21718-02Size:500 mg
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CAS Number
115-32-2
Synonyms
4-Chloro-a- (4-chlorophenyl) -a- (trichloromethyl) -benzenemethanol;4,4'-Dichloro-a- (trichloromethyl) -benzhydrol
MDL Number
MFCD00055271
Smiles
C1=CC (=CC=C1C (C2=CC=C (C=C2) Cl) (C (Cl) (Cl) Cl) O) Cl
Molecular Formula
C14H9Cl5O
Molecular Weight
370.48 g/mol
Controlled
No

Chemical Information

Dicofol

Dicofol is a tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group. It is a tertiary alcohol, an organochlorine acaricide and a member of monochlorobenzenes. It is functionally related to a DDT.

CAS Number115-32-2
PubChem CID8268
IUPAC Name2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
Molecular FormulaC14H9Cl5O
Molecular Weight370.5
XLogP4.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity292
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl
InChI
InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKey
UOAMTSKGCBMZTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicofol
CAS: 115-32-2
CID: 8268
Formula: C14H9Cl5O
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass369.906653
Monoisotopic Mass367.909603
Topological Polar Surface Area20.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity292
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