Chlordene hydroxide

CAT: 0926-CAA59711-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA59711-01Size:50 mg

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CAS Number

2597-11-7

Smiles

C1=CC (C2C1C3 (C (=C (C2 (C3 (Cl) Cl) Cl) Cl) Cl) Cl) O

Molecular Formula

C10H6Cl6O

Molecular Weight

354.9 g/mol

Controlled

Chemical Information

4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-inden-1-ol

1-Hydroxychlordene is a secondary alcohol.

CAS Number	2597-11-7
PubChem CID	25552
IUPAC Name	1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
Molecular Formula	C10H6Cl6O
Molecular Weight	354.9
XLogP	3.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	471

SMILES

C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)O

InChI

InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h1-5,17H

InChIKey

YQWCIPIEEBVRNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2597-11-7

CID: 25552

Formula: C10H6Cl6O

MW: 354.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.9
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	353.852031
Monoisotopic Mass	351.854981
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	471
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FP34861-01	Potassium hydroxide
FT145658-01	Trimethyltin hydroxide
FB03440-01	Barium hydroxide
FA01536-01	Aluminium hydroxide
FI71577-01	Iron hydroxide
FB37567	Bismuth hydroxide
XIA60806-01	Denatonium hydroxide
FT75544	Tetramethylammonium hydroxide pentahydrate
MAA17902-01	Sodium hydroxide monohydrate
FC49755-01	Cesium hydroxide monohydrate

Catalog	Name
444326-01	Chlordene Hydroxide
591959	Chlordene
HY-166956S	Chlordene-13C10
SB0617	Sodium hydroxide
41600132-2	Potassium Hydroxide
TRC-T797615-2.5G	Trimethyltin Hydroxide
HY-W010221-01	Phenyltrimethylammonium hydroxide
T88645-01	Calcium hydroxide
HY-N4309A-01	Lotusine (hydroxide)
HY-N2373A-01	Palmaturbine (hydroxide)