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Home > Nitro Compounds > 675957-50-3
675957-50-3 | 1,3-Dioxolan-2-one, 4-[[(4-nitrophenyl)thio]methyl]-, (4R)-
CAS No: 675957-50-3 Catalog No: AG005M0N MDL No:
Product Description
Catalog Number:
AG005M0N
Chemical Name:
1,3-Dioxolan-2-one, 4-[[(4-nitrophenyl)thio]methyl]-, (4R)-
CAS Number:
675957-50-3
Molecular Formula:
C10H9NO5S
Molecular Weight:
255.2472
IUPAC Name:
(4R)-4-[(4-nitrophenyl)sulfanylmethyl]-1,3-dioxolan-2-one
InChI:
InChI=1S/C10H9NO5S/c12-10-15-5-8(16-10)6-17-9-3-1-7(2-4-9)11(13)14/h1-4,8H,5-6H2/t8-/m1/s1
InChI Key:
GQDJSMZMVYYEDX-MRVPVSSYSA-N
SMILES:
O=C1OC[C@@H](O1)CSc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.244g/mol
Monoisotopic Mass:
255.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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