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105627-79-0 | 5-Isoquinolinesulfonylchloride, hydrochloride (1:1)
CAS No: 105627-79-0 Catalog No: AG00388Y MDL No:MFCD08272853
Product Description
Catalog Number:
AG00388Y
Chemical Name:
5-Isoquinolinesulfonylchloride, hydrochloride (1:1)
CAS Number:
105627-79-0
Molecular Formula:
C9H7Cl2NO2S
Molecular Weight:
264.1284
MDL Number:
MFCD08272853
IUPAC Name:
isoquinoline-5-sulfonyl chloride;hydrochloride
InChI:
InChI=1S/C9H6ClNO2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6H;1H
InChI Key:
GZQNTWHQJJVIAK-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccc2c1ccnc2.Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.957g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.12g/mol
Monoisotopic Mass:
262.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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