Tetrachlorophthalic acid

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CAS Number

632-58-6

MDL Number

MFCD00053309

Smiles

C1 (=C (C (=C (C (=C1Cl) Cl) Cl) Cl) C (=O) O) C (=O) O

Molecular Formula

C8H2Cl4O4

Molecular Weight

303.91 g/mol

Controlled

Chemical Information

Tetrachlorophthalic acid

Tetrachlorophthalic acid is a colorless plates. (NTP, 1992)

CAS Number	632-58-6
PubChem CID	12442
IUPAC Name	3,4,5,6-tetrachlorophthalic acid
Molecular Formula	C8H2Cl4O4
Molecular Weight	303.9
XLogP	3.5
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	280

SMILES

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)

InChIKey

WZHHYIOUKQNLQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 632-58-6

CID: 12442

Formula: C8H2Cl4O4

MW: 303.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.9
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	303.867769
Monoisotopic Mass	301.870719
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	280
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
FT30605-01	Tetrachlorophthalic anhydride
FR11870-01	Ribonucleic acid free acid
G-3600-01	D-Glucuronic acid, free acid
HXC53910	Acid-PEG2-SS-PEG2-acid
HXC88802-01	(3R) -3-Aminodecanoic acid, trifluoroacetic acid
YGA93275-01	Gambogenic acid
YEA13505-01	Uncaric acid
SEA02059-01	Anwuweizonic acid
SCA90519	Perfluorohexadecanoic acid
SAA99042-01	Oleanonic acid

Catalog	Name
T02760-01	Tetrachlorophthalic Acid
sc-475543	Tetrachlorophthalic Acid Hemihydrate
290577-01	Tetrachlorophthalic
sc-272564	Tetrachlorophthalic anhydride
T02770-01	Tetrachlorophthalic anhydride 98%
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)