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1189428-60-1 | Benzo[d]isoxazol-3-yl-methanesulfonyl-d4 Chloride
CAS No: 1189428-60-1 Catalog No: AG008X4B MDL No:
Product Description
Catalog Number:
AG008X4B
Chemical Name:
Benzo[d]isoxazol-3-yl-methanesulfonyl-d4 Chloride
CAS Number:
1189428-60-1
IUPAC Name:
(4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonyl chloride
InChI:
InChI=1S/C8H6ClNO3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2/i1D,2D,3D,4D
InChI Key:
ZREYTLWEJMYKRX-RHQRLBAQSA-N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4
Molecular Weight:
235.674g/mol
Monoisotopic Mass:
235.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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