2,5-Dichloroquinoline

CAT: 0127-OR917331-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR917331-01Size:100 mg

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CAS Number

59412-12-3

MDL Number

MFCD00832074

Purity

99%

Smiles

Clc1ccc2c(Cl)cccc2n1

Chemical Information

2,5-Dichloroquinoline

CAS Number	59412-12-3
PubChem CID	676552
IUPAC Name	2,5-dichloroquinoline
Molecular Formula	C9H5Cl2N
Molecular Weight	198.05
XLogP	3.8
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

C1=CC2=C(C=CC(=N2)Cl)C(=C1)Cl

InChI

InChI=1S/C9H5Cl2N/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H

InChIKey

RVLOQSXPPSJIMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59412-12-3

CID: 676552

Formula: C9H5Cl2N

MW: 198.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.05
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	196.9799046
Monoisotopic Mass	196.9799046
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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