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3- (2-Chlorophenyl) -7-hydroxycoumarin

CAT: 0127-OR345575Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR345575Size:1 Each
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CAS Number
263365-32-8
MDL Number
MFCD02093221
Purity
=95%
Smiles
Oc1ccc2C=C(C(=O)Oc2c1)c3ccccc3Cl

Chemical Information

3-(2-Chlorophenyl)-7-hydroxychromen-2-one
CAS Number263365-32-8
PubChem CID5393177
IUPAC Name3-(2-chlorophenyl)-7-hydroxychromen-2-one
Molecular FormulaC15H9ClO3
Molecular Weight272.68
XLogP3.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity393
SMILES
C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)O)OC2=O)Cl
InChI
InChI=1S/C15H9ClO3/c16-13-4-2-1-3-11(13)12-7-9-5-6-10(17)8-14(9)19-15(12)18/h1-8,17H
InChIKey
BGMJHLCMSVMDLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Chlorophenyl)-7-hydroxychromen-2-one
CAS: 263365-32-8
CID: 5393177
Formula: C15H9ClO3
MW: 272.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.68
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass272.0240218
Monoisotopic Mass272.0240218
Topological Polar Surface Area46.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity393
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