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Home > Nitro Compounds > 261704-15-8
261704-15-8 | Phenol, 2-(1,3-dithiolan-2-yl)-4-nitro-
CAS No: 261704-15-8 Catalog No: AG002RYV MDL No:MFCD00221137
Product Description
Catalog Number:
AG002RYV
Chemical Name:
Phenol, 2-(1,3-dithiolan-2-yl)-4-nitro-
CAS Number:
261704-15-8
Molecular Formula:
C9H9NO3S2
Molecular Weight:
243.3027
MDL Number:
MFCD00221137
IUPAC Name:
2-(1,3-dithiolan-2-yl)-4-nitrophenol
InChI:
InChI=1S/C9H9NO3S2/c11-8-2-1-6(10(12)13)5-7(8)9-14-3-4-15-9/h1-2,5,9,11H,3-4H2
InChI Key:
FUIXIBWXXKRUDP-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C1SCCS1)[N+](=O)[O-]
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.295g/mol
Monoisotopic Mass:
243.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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