octachloronaphthalene - PubChem Public Chemical Database

octachloronaphthalene - Compound Summary (CID 16692)

Table of Contents

Drug and Chemical Information

Drug and Chemical Information: (Total:1)

Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

NIOSH Pocket Guide - NIOSH Material Data Safety Sheets

NIOSH ICSC - NIOSH International Chemical Safety Cards

NJ-HSFS - New Jersey Material Data Safety Sheets

EINECS - European Inventory of Existing Commercial Chemical Substances

Haz-Map - Occupational toxicology information

TOXLINE - Citations to the toxicological literature

NTP DBS - Toxicological assay results

Properties Computed from Structure:

Molecular Weight	403.731 [g/mol]
Molecular Formula	C₁₀Cl₈
XLogP3-AA	8.2
H-Bond Donor	0
H-Bond Acceptor	0
Rotatable Bond Count	0
Exact Mass	403.744921
MonoIsotopic Mass	399.750822
Topological Polar Surface Area	0
Heavy Atom Count	18
Formal Charge	0
Complexity	254
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

Descriptors Computed from Structure:

IUPAC Name: 1,2,3,4,5,6,7,8-octachloronaphthalene
Canonical SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI: InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12

InChIKey: RTNLUFLDZOAXIC-UHFFFAOYSA-N

Compound Information:

CID 16692

Create Date: 2005-03-26

Related Compounds:

Same, Connectivity: 2 Links

Similar Compounds: 21 Links

Similar Conformers: 5168 Links View Conformers