3- (4-Chlorobenzal) phthalide

CAT: 0024-sc-394290Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-394290Size:1 g

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CAS Number

20526-97-0

Chemical Information

3-(4-Chlorobenzal)phthalide

CAS Number	20526-97-0
PubChem CID	89347
IUPAC Name	3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
Molecular Formula	C15H9ClO2
Molecular Weight	256.68
XLogP	4.1
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	356

SMILES

C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)Cl)OC2=O

InChI

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

InChIKey

OHRFHJYUEWVXBD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20526-97-0

CID: 89347

Formula: C15H9ClO2

MW: 256.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.68
XLogP3	4.1
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	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-391851	3- (4-Methoxybenzyl) phthalide
sc-485520	3-Chlorobenzal Bromide
sc-266603	3-Chlorobenzal chloride
sc-506082	Phthalide A
sc-250716	Phthalide
sc-279982	Phthalide-3-acetic acid
sc-216500	3-Methyl-3- (1-naphthyl) phthalide
sc-486561	3- (1,2-Dimethyl-3-indolyl) -3-[4- (diethylamino) -2-methylphenyl]phthalide
sc-280396	4- (4-Chlorobenzyl) -3-thiosemicarbazide
sc-280396A	4- (4-Chlorobenzyl) -3-thiosemicarbazide

Catalog	Name
TRC-C364515-1G	3-(4-Chlorobenzal)phthalide
268342-01	3- (4-Chlorobenzal) phthalide
PC500763	4- (Trifluoromethyl) phthalide
016148	3- (4-Methoxybenzyl) phthalide
MBS6049558-01	3-(4-Methoxybenzyl)phthalide
PC500808	3-Bromo-4- (trifluoromethyl) phthalide
431840-01	4-Chlorobenzal Chloride
TRC-P384525-25G	Phthalide
PC52183-01	4-Bromo-2-chlorobenzal fluoride
116800 500	Phthalide For Synthesis