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2-Chloro-4-phenoxybenzaldehyde

CAT: 0127-OR1097315Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
184229-18-3
MDL Number
MFCD11557792
Smiles
C1c (cc (c (c1) C=O) Cl) Oc1ccccc1

Chemical Information

2-Chloro-4-phenoxybenzaldehyde
CAS Number184229-18-3
PubChem CID18942953
IUPAC Name2-chloro-4-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)C=O)Cl
InChI
InChI=1S/C13H9ClO2/c14-13-8-12(7-6-10(13)9-15)16-11-4-2-1-3-5-11/h1-9H
InChIKey
LMGQTPMLPMDDOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-phenoxybenzaldehyde
CAS: 184229-18-3
CID: 18942953
Formula: C13H9ClO2
MW: 232.66
Interactive 3D Structure
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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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