2,5,7-Trichloroquinoline

CAT: 0926-CYA96774-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CYA96774-01Size:50 mg

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CAS Number

577967-74-9

MDL Number

MFCD16657485

Smiles

C1=CC (=NC2=C1C (=CC (=C2) Cl) Cl) Cl

Molecular Formula

C9H4Cl3N

Molecular Weight

232.5 g/mol

Controlled

Chemical Information

2,5,7-Trichloroquinoline

CAS Number	577967-74-9
PubChem CID	53423555
IUPAC Name	2,5,7-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=C1C(=CC(=C2)Cl)Cl)Cl

InChI

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

InChIKey

WEXKNHYUKUGFKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 577967-74-9

CID: 53423555

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
RDC34520-01	2,7,8-Trichloroquinoline
TDC06749-01	2,5,8-Trichloroquinoline
FJB76318-01	4,6,7-Trichloroquinoline
BAA67750-01	2,4,6-Trichloroquinoline
GCA82489-01	Ethyl 4,7,8-trichloroquinoline-3-carboxylate
RBA21331-01	2,6,7-Trichloroquinoxaline
XT183033-01	5,7,2'-Trimethoxyflavone
CAA95886-01	2,3,5-Trichloroquinoxaline
QBD98530-01	5,5,7,7-Tetramethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
FT91899-01	2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanamide