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Home > Fluorides > 198278-49-8
198278-49-8 | Ethanol, 2-[(2,3-difluoro-6-nitrophenyl)thio]-
CAS No: 198278-49-8 Catalog No: AG002BEX MDL No:
Product Description
Catalog Number:
AG002BEX
Chemical Name:
Ethanol, 2-[(2,3-difluoro-6-nitrophenyl)thio]-
CAS Number:
198278-49-8
Molecular Formula:
C8H7F2NO3S
Molecular Weight:
235.2079
IUPAC Name:
2-(2,3-difluoro-6-nitrophenyl)sulfanylethanol
InChI:
InChI=1S/C8H7F2NO3S/c9-5-1-2-6(11(13)14)8(7(5)10)15-4-3-12/h1-2,12H,3-4H2
InChI Key:
BMNHBXHAJWBIBU-UHFFFAOYSA-N
SMILES:
OCCSc1c(ccc(c1F)F)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.011g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.205g/mol
Monoisotopic Mass:
235.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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