3- (3’-Chlorophenyl) coumarin

CAT: 0127-OR351153Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

23000-36-4

MDL Number

MFCD02683006

Purity

=95%

Smiles

Clc1cccc(c1)C2=Cc3ccccc3OC2=O

Chemical Information

3-(3-Chlorophenyl)chromen-2-one

CAS Number	23000-36-4
PubChem CID	688980
IUPAC Name	3-(3-chlorophenyl)chromen-2-one
Molecular Formula	C15H9ClO2
Molecular Weight	256.68
XLogP	4.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	364

SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H9ClO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H

InChIKey

UQCDNAKCEWMCJP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23000-36-4

CID: 688980

Formula: C15H9ClO2

MW: 256.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.68
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	256.0291072
Monoisotopic Mass	256.0291072
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR351040	3- (4’-Chlorophenyl) coumarin
OR351049	3- (2’-Chlorophenyl) coumarin
OR351306	6-Bromo-3- (3’-chlorophenyl) -4 (2’-chlorophenyl) coumarin
OR345574	3- (2-Chlorophenyl) -7- (diethylamino) coumarin
OR351127	6-Chloro-3,4-di (4’-chlorophenyl) coumarin
OR351130	6-Bromo-3,4-di (4’-chlorophenyl) coumarin
OR351144	6-Chloro-4- (4’-chlorophenyl) -3- (4’-methoxyphenyl) coumarin
OR351256	3- (3'-Bromophenyl) coumarin
PC4569	3- (Trifluoroacetyl) coumarin
PC0850	3- (Trifluoromethyl) coumarin

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