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Home > Nitro Compounds > 110973-83-6
110973-83-6 | 1H,3H,5H-Oxazolo[3,4-c]oxazole, dihydro-1-(4-nitrophenyl)-
CAS No: 110973-83-6 Catalog No: AG00HBSI MDL No:MFCD00522213
Product Description
Catalog Number:
AG00HBSI
Chemical Name:
1H,3H,5H-Oxazolo[3,4-c]oxazole, dihydro-1-(4-nitrophenyl)-
CAS Number:
110973-83-6
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD00522213
IUPAC Name:
7-(4-nitrophenyl)-3,5,7,7a-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
InChI:
InChI=1S/C11H12N2O4/c14-13(15)9-3-1-8(2-4-9)11-10-5-16-6-12(10)7-17-11/h1-4,10-11H,5-7H2
InChI Key:
DBDXAJVSKWAGLH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1OCN2C1COC2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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