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952651-48-8 | ISOQUINOLINE-4-SULFONAMIDE
CAS No: 952651-48-8 Catalog No: AG01B32W MDL No:MFCD19613774
Product Description
Catalog Number:
AG01B32W
Chemical Name:
ISOQUINOLINE-4-SULFONAMIDE
CAS Number:
952651-48-8
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD19613774
IUPAC Name:
isoquinoline-4-sulfonamide
InChI:
InChI=1S/C9H8N2O2S/c10-14(12,13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,(H2,10,12,13)
InChI Key:
VSCHHDRTWHPIOV-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1cncc2c1cccc2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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