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Home > Nitro Compounds > 85692-69-9
85692-69-9 | 1,3-Oxathiolane, 2-(3-nitrophenyl)-
CAS No: 85692-69-9 Catalog No: AG004ZRS MDL No:
Product Description
Catalog Number:
AG004ZRS
Chemical Name:
1,3-Oxathiolane, 2-(3-nitrophenyl)-
CAS Number:
85692-69-9
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
2-(3-nitrophenyl)-1,3-oxathiolane
InChI:
InChI=1S/C9H9NO3S/c11-10(12)8-3-1-2-7(6-8)9-13-4-5-14-9/h1-3,6,9H,4-5H2
InChI Key:
WQGYFUHTICWTFX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1OCCS1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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