C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl
CAS: 105627-79-0
Name: isoquinoline-5-sulfonyl chloride;hydrochloride
SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl

Molecular Processing

Molecular formula
C9H7Cl2NO2S
Molecular weight
264.13
Exact mass
262.9575
XLogP
2.58
TPSA
47.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0
Molar refractivity
62.03

Supplementary Information

InChIKey: GZQNTWHQJJVIAK-UHFFFAOYSA-N
Synonyme
isoquinoline-5-sulfonyl chloride hydrochlorideRefChem:792319818-961-7105627-79-0Isoquinoline-5-sulphonyl chloride hydrochlorideIsoquinoline-5-sulfonyl chloride HCl5-Isoquinolinesulfonylchloride, hydrochloride (1:1)ISOQUINOLINE-5-SULFONYL CHLORIDE, HYDROCHLORIDEMFCD08272853C9H7Cl2NO2S5-Isoquinolinesulfonyl chloride, hydrochlorideisoquinoline-5-sulfonyl chloride;hydrochloride5-isoquinolinesulfonyl chloride hydrochlorideSCHEMBL987360SCHEMBL29469852DTXSID70519255GZQNTWHQJJVIAK-UHFFFAOYSA-N5-isoquinolinesulfonyl chloride.HClchloro-5-isoquinolylsulfone, chlorideSBB055046AKOS015897027AC-8863Isoquinoline-5-sulphonyl chloride, HClSB12511AS-19483BL003874SY042836isoquinoline-5-sulfonylchloride hydrochlorideEN300-42641F067923
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