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Home > Nitro Compounds > 90049-81-3
90049-81-3 | 5-Nitrobenzothiophene 1,1-Dioxide
CAS No: 90049-81-3 Catalog No: AG01EN0G MDL No:
Product Description
Catalog Number:
AG01EN0G
Chemical Name:
5-Nitrobenzothiophene 1,1-Dioxide
CAS Number:
90049-81-3
IUPAC Name:
5-nitro-1-benzothiophene 1,1-dioxide
InChI:
InChI=1S/C8H5NO4S/c10-9(11)7-1-2-8-6(5-7)3-4-14(8,12)13/h1-5H
InChI Key:
DBSOUBWMAOIBPM-UHFFFAOYSA-N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.191g/mol
Monoisotopic Mass:
210.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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