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Home > Nitro Compounds > 21386-32-3
21386-32-3 | 2-(4-nitrobenzenesulfonyl)ethan-1-ol
CAS No: 21386-32-3 Catalog No: AG01A6DN MDL No:MFCD23702250
Product Description
Catalog Number:
AG01A6DN
Chemical Name:
2-(4-nitrobenzenesulfonyl)ethan-1-ol
CAS Number:
21386-32-3
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
MDL Number:
MFCD23702250
IUPAC Name:
2-(4-nitrophenyl)sulfonylethanol
InChI:
InChI=1S/C8H9NO5S/c10-5-6-15(13,14)8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2
InChI Key:
BUEYRCAVFDMGHP-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
606-750-0
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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