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1020718-75-5 | Benzene-2,3,5,6-d4-sulfonic acid-d, 4-(acetylamino-d)-
CAS No: 1020718-75-5 Catalog No: AG0006IV MDL No:
Product Description
Catalog Number:
AG0006IV
Chemical Name:
Benzene-2,3,5,6-d4-sulfonic acid-d, 4-(acetylamino-d)-
CAS Number:
1020718-75-5
Molecular Formula:
C8H3D6NO4S
Molecular Weight:
221.2633
IUPAC Name:
deuterio 4-[acetyl(deuterio)amino]-2,3,5,6-tetradeuteriobenzenesulfonate
InChI:
InChI=1S/C8H9NO4S/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)/i2D,3D,4D,5D/hD2
InChI Key:
ZQPVMSLLKQTRMG-SRASEDJUSA-N
SMILES:
O([2H])S(=O)(=O)c1c([2H])c([2H])c(c(c1[2H])[2H])N(C(=O)C)[2H]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
6
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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