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Home > Nitro Compounds > 100983-99-1
100983-99-1 | Ethanol, 2-[[2-[(2-hydroxyethyl)sulfonyl]-4-nitrophenyl]thio]-
CAS No: 100983-99-1 Catalog No: AG0003DT MDL No:
Product Description
Catalog Number:
AG0003DT
Chemical Name:
Ethanol, 2-[[2-[(2-hydroxyethyl)sulfonyl]-4-nitrophenyl]thio]-
CAS Number:
100983-99-1
Molecular Formula:
C10H13NO6S2
Molecular Weight:
307.3433
IUPAC Name:
2-[2-(2-hydroxyethylsulfonyl)-4-nitrophenyl]sulfanylethanol
InChI:
InChI=1S/C10H13NO6S2/c12-3-5-18-9-2-1-8(11(14)15)7-10(9)19(16,17)6-4-13/h1-2,7,12-13H,3-6H2
InChI Key:
HJFXOYNTGHQNHQ-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(cc1S(=O)(=O)CCO)[N+](=O)[O-]
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.335g/mol
Monoisotopic Mass:
307.018g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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