Chlorendic Acid

CAT: 0127-OR1030196-03Size: 2.5 KgDry Ice: NoHazardous: No

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CAT#:0127-OR1030196-03Size:2.5 Kg

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CAS Number

115-28-6

Synonyms

1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

Purity

99%

Smiles

C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O

Chemical Information

Chlorendic Acid

Chlorendic Acid can cause cancer according to an independent committee of scientific and health experts.

CAS Number	115-28-6
PubChem CID	8266
IUPAC Name	1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Molecular Formula	C9H4Cl6O4
Molecular Weight	388.8
XLogP	2
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	487

SMILES

C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)

InChIKey

DJKGDNKYTKCJKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115-28-6

CID: 8266

Formula: C9H4Cl6O4

MW: 388.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.8
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	387.821125
Monoisotopic Mass	385.824075
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1071368-01	Acid-apeg6-acid
BIM1576-01	Okadaic acid, free acid
BIFK0050-01	Carnosic Acid, Free Acid
BIF6400-01	Fusidic acid, free acid
BIPG1004-01	Acid-PEG2-SS-PEG2-Acid
BIPG1007-01	Acid-PEG6-SS-PEG6-Acid
BIPG1005-01	Acid-PEG3-SS-PEG3-Acid
OR1076924-01	Chenodeoxycholic Acid Impurity 1; Allochenodeoxycholic Acid
BIPG1006-01	Acid-PEG4-S-S-PEG4-Acid
OR1015184-01	Tetradecanoic Acid

Catalog	Name
CS-O-54998	Chlorendic Acid
S-4302	Chlorendic acid - 1ML
C07970	Chlorendic Acid 99.5%
sc-268690	Chlorendic anhydride, 96%, may cont. up to 3% chlorendic acid
444330-01	Chlorendic Anhydride
MBS6083807-01	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)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)