4-Chlorophthalic Anhydride

CAT: 1596-AR-P31524-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P31524-01Size:10 Units

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CAS Number

118-45-6

Molecular Formula

C8H3ClO3

Molecular Weight

182.56

API Name

Phthalic acid

Chemical Information

4-Chlorophthalic anhydride

CAS Number	118-45-6
PubChem CID	67044
IUPAC Name	5-chloro-2-benzofuran-1,3-dione
Molecular Formula	C8H3ClO3
Molecular Weight	182.56
XLogP	1.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	238

SMILES

C1=CC2=C(C=C1Cl)C(=O)OC2=O

InChI

InChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H

InChIKey

BTTRMCQEPDPCPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118-45-6

CID: 67044

Formula: C8H3ClO3

MW: 182.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.56
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	181.9770716
Monoisotopic Mass	181.9770716
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	238
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
AR-P31523-01	3-Chlorophthalic Anhydride
AR-B06701-01	4-Methoxybenzoic Anhydride
AR-M03563-01	4-Chlorobenzoic anhydride
AR-B08104-01	4-Phenylbutyric Anhydride
AR-C07161-01	Levetiracetam Impurity 20 (4-Chlorobutyric Anhydride)
AR-C08620-01	Cyclohexanecarboxylic Anhydride
AR-P32955-01	Lactic Anhydride
AR-M04394-01	Methanesulfonic Anhydride
AR-A05390-01	Valeric Anhydride
AR-A05556-01	Acrylic Anhydride