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17075-21-7 | Isoquinoline,1-(methylsulfonyl)-
CAS No: 17075-21-7 Catalog No: AG007UAO MDL No:
Product Description
Catalog Number:
AG007UAO
Chemical Name:
Isoquinoline,1-(methylsulfonyl)-
CAS Number:
17075-21-7
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
1-methylsulfonylisoquinoline
InChI:
InChI=1S/C10H9NO2S/c1-14(12,13)10-9-5-3-2-4-8(9)6-7-11-10/h2-7H,1H3
InChI Key:
VSYAIJANWKDHIV-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1nccc2c1cccc2
NSC Number:
158303
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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