2,3,4-trichloroquinoline

CAT: 1299-RG-H250508-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-H250508-01Size:10 mg

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CAS Number

40335-02-2

Synonyms

2,3,4-trichloroquinoline

Molecular Formula

C9H4Cl3N

Molecular Weight

232.49

Chemical Information

2,3,4-Trichloroquinoline

CAS Number	40335-02-2
PubChem CID	615831
IUPAC Name	2,3,4-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=C2C(=C1)C(=C(C(=N2)Cl)Cl)Cl

InChI

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

InChIKey

OVAXVANZWJUQBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40335-02-2

CID: 615831

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
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