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Dichlorophen BP

CAT: 0926-FD07108-01Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FD07108-01Size:0.5 Kg
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CAS Number
97-23-4
Synonyms
5,5'-Dichloro-2,2'-dihydroxydiphenylmethane
MDL Number
MFCD00002322
Smiles
C1=CC (=C (C=C1Cl) CC2=C (C=CC (=C2) Cl) O) O
Molecular Formula
C13H10Cl2O2
Molecular Weight
269.12 g/mol
Controlled
No

Chemical Information

Dichlorophen

Dichlorophene can cause developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number97-23-4
PubChem CID3037
IUPAC Name4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
Molecular FormulaC13H10Cl2O2
Molecular Weight269.12
XLogP4.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity226
SMILES
C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
InChI
InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
InChIKey
MDNWOSOZYLHTCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dichlorophen
CAS: 97-23-4
CID: 3037
Formula: C13H10Cl2O2
MW: 269.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.12
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass268.0057849
Monoisotopic Mass268.0057849
Topological Polar Surface Area40.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity226
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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009290Dichlorophen
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