Perchlorotriphenylmethyl radical

CAT: 0926-FP26839-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FP26839-01Size:2 mg

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CAS Number

4070-01-3

Synonyms

Tris (pentachlorophenyl) methyl; Perchlorotriphenylmethyl

MDL Number

MFCD20527265

Smiles

Clc1c (Cl) c (Cl) c ([C] (c2c (Cl) c (Cl) c (Cl) c (Cl) c2Cl) c3c (Cl) c (Cl) c (Cl) c (Cl) c3Cl) c (Cl) c1Cl

Molecular Formula

C19Cl15

Molecular Weight

759.99 g/mol

Controlled

Chemical Information

1-[Bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,4,5,6-pentachlorobenzene

CAS Number	4070-01-3
PubChem CID	297513
IUPAC Name	1-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,4,5,6-pentachlorobenzene
Molecular Formula	C19HCl15
Molecular Weight	761.0
XLogP	14.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	34
Formal Charge	0
Complexity	560

SMILES

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C19HCl15/c20-5-2(6(21)12(27)17(32)11(5)26)1(3-7(22)13(28)18(33)14(29)8(3)23)4-9(24)15(30)19(34)16(31)10(4)25/h1H

InChIKey

NTIHYEQVZGVWKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4070-01-3

CID: 297513

Formula: C19HCl15

MW: 761.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	761.0
XLogP3	14.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	759.531765
Monoisotopic Mass	753.540615
Topological Polar Surface Area	0 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	560
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
FT02559-01	2,2,6,6-Tetramethyl-4-piperidinol 1-oxyl, free radical
FA09738-01	4-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl free radical
FT167208-01	2,2,6,6-Tetramethylpiperidine 1-oxyl, free radical - Solid cubes
FT04400-01	2,2,6,6-Tetramethylpiperidine 1-oxyl, free radical - solid melt
FT28164-01	2,2,5,5-Tetramethyl-3-amino-pyrrolidine-1-oxyl free radical
FT09614-01	2,2,6,6-Tetramethylpiperidine 1-oxyl, free radical - free flowing milled solid
70R-19751	RADIL antibody

Catalog	Name
286737-01	Perchlorotriphenylmethyl radical
sc-202591	DPPH, Free Radical
TRC-G190560-100MG	Galvinoxyl Free Radical
sc-202783A	PTMIO, free radical
320001	TEMPO, FREE RADICAL
sc-202620A	Galvinoxyl, free radical
sc-100754	Radical Fringe (18-K2)
sc-39495-PR	Radical Fringe (m) -PR
sc-39494-PR	Radical Fringe (h) -PR
bs-11948R	Radical Fringe Polyclonal Antibody