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4- (Benzyloxy) -2-chlorophenol

CAT: 0127-OR1051943-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1051943-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
620970-24-3
MDL Number
MFCD29044691
Purity
95%
Smiles
OC1=CC=C(OCC2=CC=CC=C2)C=C1Cl

Chemical Information

4-(Benzyloxy)-2-chlorophenol
CAS Number620970-24-3
PubChem CID23529945
IUPAC Name2-chloro-4-phenylmethoxyphenol
Molecular FormulaC13H11ClO2
Molecular Weight234.68
XLogP3.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity204
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C13H11ClO2/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey
NOMSDLZEVCVWMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Benzyloxy)-2-chlorophenol
CAS: 620970-24-3
CID: 23529945
Formula: C13H11ClO2
MW: 234.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.68
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass234.0447573
Monoisotopic Mass234.0447573
Topological Polar Surface Area29.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity204
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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