C1=CC=C2C(=C1)C=CN=C2Cl
CAS: 19493-44-8
Name: 1-chloroisoquinoline
SMILES: C1=CC=C2C(=C1)C=CN=C2Cl

Molecular Processing

Molecular formula
C9H6ClN
Molecular weight
163.61
Exact mass
163.0189
XLogP
2.89
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
46.75

Supplementary Information

InChIKey: MSQCQINLJMEVNJ-UHFFFAOYSA-N
Synonyme
1-chloroisoquinolineIsoquinoline, 1-chloro-DTXSID60173143NSC 170839RefChem:792292DTXCID9095634628-561-2InChI=1/C9H6ClN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-619493-44-81-Chloro-isoquinolineMFCD000241341-Chloroisoquinonechloroisoquinoline1-chloro isoquinolineIsoquinoline, chloro-1-chlorisochinolinNSC1708391-Chloroisoquinoline, 95%SCHEMBL144590SCHEMBL939304SCHEMBL5656885SCHEMBL6450446SCHEMBL15515508SCHEMBL29536823ALBB-023931SBB059626AKOS003399220AB01423CS-W002145FS-2246
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