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2-Chloro-5-phenoxybenzaldehyde

CAT: 0572-TRC-C378705-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C378705-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77748-17-5
Hazard Statement
No Data Available
Smiles
Clc1ccc(Oc2ccccc2)cc1C=O
Molecular Formula
C13 H9 Cl O2
Molecular Weight
232.662
InChI
InChI=1S/C13H9ClO2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h1-9H
Additionnal Information
IUPAC name: 2-chloro-5-phenoxybenzaldehyde
Shipping Conditions
Room Temperature

Chemical Information

2-Chloro-5-phenoxybenzaldehyde
CAS Number77748-17-5
PubChem CID131420183
IUPAC Name2-chloro-5-phenoxybenzaldehyde
Molecular FormulaC13H9ClO2
Molecular Weight232.66
XLogP3.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity226
SMILES
C1=CC=C(C=C1)OC2=CC(=C(C=C2)Cl)C=O
InChI
InChI=1S/C13H9ClO2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h1-9H
InChIKey
KQMDFOHJYVWWEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-phenoxybenzaldehyde
CAS: 77748-17-5
CID: 131420183
Formula: C13H9ClO2
MW: 232.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.66
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass232.0291072
Monoisotopic Mass232.0291072
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
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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