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Home > Nitro Compounds > 87149-78-8
87149-78-8 | Isoxazole, 3-(1,3-dithian-2-ylmethyl)-4-nitro-
CAS No: 87149-78-8 Catalog No: AG004OBT MDL No:
Product Description
Catalog Number:
AG004OBT
Chemical Name:
Isoxazole, 3-(1,3-dithian-2-ylmethyl)-4-nitro-
CAS Number:
87149-78-8
Molecular Formula:
C8H10N2O3S2
Molecular Weight:
246.3066
IUPAC Name:
3-(1,3-dithian-2-ylmethyl)-4-nitro-1,2-oxazole
InChI:
InChI=1S/C8H10N2O3S2/c11-10(12)7-5-13-9-6(7)4-8-14-2-1-3-15-8/h5,8H,1-4H2
InChI Key:
BYVJIWNEFSQCHI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1conc1CC1SCCCS1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.299g/mol
Monoisotopic Mass:
246.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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