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1020720-04-0 | 1,2-Benzisoxazole-4,5,6,7-d4-3-methanesulfonamide
CAS No: 1020720-04-0 Catalog No: AG0006K6 MDL No:
Product Description
Catalog Number:
AG0006K6
Chemical Name:
1,2-Benzisoxazole-4,5,6,7-d4-3-methanesulfonamide
CAS Number:
1020720-04-0
Molecular Formula:
C8H4D4N2O3S
Molecular Weight:
216.2504
IUPAC Name:
(4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamide
InChI:
InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)/i1D,2D,3D,4D
InChI Key:
UBQNRHZMVUUOMG-RHQRLBAQSA-N
SMILES:
c1([2H])c([2H])c([2H])c2c(c1[2H])c(no2)CS(=O)(=O)N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
216.247g/mol
Monoisotopic Mass:
216.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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