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Home > Nitro Compounds > 82571-50-4
82571-50-4 | 4-NITROBENZYL SELENOSULFURIC ACID
CAS No: 82571-50-4 Catalog No: AG0052YO MDL No:
Product Description
Catalog Number:
AG0052YO
Chemical Name:
4-NITROBENZYL SELENOSULFURIC ACID
CAS Number:
82571-50-4
Molecular Formula:
C7H7NO5SSe
Molecular Weight:
296.1592
IUPAC Name:
1-nitro-4-(sulfoselanylmethyl)benzene
InChI:
InChI=1S/C7H7NO5SSe/c9-8(10)7-3-1-6(2-4-7)5-15-14(11,12)13/h1-4H,5H2,(H,11,12,13)
InChI Key:
CFFTVEHQPVBZDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)COS(=[Se])(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.921g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.166g/mol
Monoisotopic Mass:
296.921g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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