2,5,8-Trichloroquinoline

CAT: 0127-OR1048899-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1048899-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1343067-49-1

MDL Number

MFCD19678386

Purity

95%

Smiles

ClC1=C2N=C(Cl)C=CC2=C(Cl)C=C1

Chemical Information

2,5,8-Trichloroquinoline

CAS Number	1343067-49-1
PubChem CID	64208255
IUPAC Name	2,5,8-trichloroquinoline
Molecular Formula	C9H4Cl3N
Molecular Weight	232.5
XLogP	4.4
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	188

SMILES

C1=CC(=NC2=C(C=CC(=C21)Cl)Cl)Cl

InChI

InChI=1S/C9H4Cl3N/c10-6-2-3-7(11)9-5(6)1-4-8(12)13-9/h1-4H

InChIKey

YVWFFKZWXRICFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1343067-49-1

CID: 64208255

Formula: C9H4Cl3N

MW: 232.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.5
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	230.940932
Monoisotopic Mass	230.940932
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188
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
TDC06749-01	2,5,8-Trichloroquinoline
sc-290533A	4,5,8-Trichloroquinoline
sc-288225A	2-Methyl-4,5,8-trichloroquinoline
RDC34520-01	2,7,8-Trichloroquinoline
CYA96774-01	2,5,7-Trichloroquinoline
427527-01	3,5,6-Trichloroquinoline-8-carbaldehyde
sc-289322A	3,4,8-Trichloroquinoline
sc-288229A	2-Methyl-4,7,8-trichloroquinoline
sc-288228	2-Methyl-4,6,8-trichloroquinoline
sc-290559A	4,6,8-Trichloroquinoline