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2,2'-Methylene Bis(5-chlorophenol)

CAT: 0572-TRC-M304090-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M304090-2.5GSize:2.5 g
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CAS Number
1215-74-3
Synonyms
2,2'-Methylenebis[5-chlorophenol]; Bis(2-hydroxy-4-chlorophenyl)methane; NSC 3947;
Hazard Statement
No Data Available
Smiles
ClC1=CC=C(C(O)=C1)CC2=CC=C(Cl)C=C2O
Molecular Formula
C13H10Cl2O2
Molecular Weight
269.12
InChI
InChI=1S/C13H10Cl2O2/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17/h1-4,6-7,16-17H,5H2
Additionnal Information
IUPAC name: 6,6'-methylenebis(3-chlorophenol)
Shipping Conditions
Room Temperature

Chemical Information

5-Chloro-2-((4-chloro-2-hydroxyphenyl)methyl)phenol
CAS Number1215-74-3
PubChem CID94814
IUPAC Name5-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenol
Molecular FormulaC13H10Cl2O2
Molecular Weight269.12
XLogP4.4
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)O)CC2=C(C=C(C=C2)Cl)O
InChI
InChI=1S/C13H10Cl2O2/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17/h1-4,6-7,16-17H,5H2
InChIKey
PMYWWZKCZCXDPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-((4-chloro-2-hydroxyphenyl)methyl)phenol
CAS: 1215-74-3
CID: 94814
Formula: C13H10Cl2O2
MW: 269.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.12
XLogP34.4
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