Technical chlorophenothane

CAT: 0926-IAA01734-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-IAA01734-01Size:10 mg

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CAS Number

8017-34-3

MDL Number

MFCD09027773

Smiles

C1=CC=C (C (=C1) C (C2=CC=C (C=C2) Cl) C (Cl) (Cl) Cl) Cl.C1=CC (=CC=C1C (C2=CC=C (C=C2) Cl) C (Cl) (Cl) Cl) Cl

Molecular Formula

C28H18Cl10

Molecular Weight

709 g/mol

Controlled

Yes

Chemical Information

DDT technical

CAS Number	8017-34-3
PubChem CID	91560
IUPAC Name	1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene;1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
Molecular Formula	C28H18Cl10
Molecular Weight	709.0
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Heavy Atom Count	38
Formal Charge	0
Complexity	530

SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl.C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl

InChI

InChI=1S/2C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10;15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h2*1-8,13H

InChIKey

HIZIFSYVXSKXIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 8017-34-3

CID: 91560

Formula: C28H18Cl10

MW: 709.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	709.0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	707.823477
Monoisotopic Mass	703.829378
Topological Polar Surface Area	0 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	530
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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