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82299-64-7 | 2H-1,4-Benzothiazine,3,4-dihydro-, 1,1-dioxide
CAS No: 82299-64-7 Catalog No: AG005GHN MDL No:MFCD08166693
Product Description
Catalog Number:
AG005GHN
Chemical Name:
2H-1,4-Benzothiazine,3,4-dihydro-, 1,1-dioxide
CAS Number:
82299-64-7
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD08166693
IUPAC Name:
3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
InChI:
InChI=1S/C8H9NO2S/c10-12(11)6-5-9-7-3-1-2-4-8(7)12/h1-4,9H,5-6H2
InChI Key:
WYUFHUYMJXPXAO-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCNc2c1cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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