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Home > Nitro Compounds > 936076-13-0
936076-13-0 | 3-(6-nitro-1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
CAS No: 936076-13-0 Catalog No: AG00JH6O MDL No:MFCD10038456
Product Description
Catalog Number:
AG00JH6O
Chemical Name:
3-(6-nitro-1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
CAS Number:
936076-13-0
Molecular Formula:
C10H8N2O6
Molecular Weight:
252.1803
MDL Number:
MFCD10038456
IUPAC Name:
3-(6-nitro-1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C10H8N2O6/c13-10-11(1-2-16-10)6-3-8-9(18-5-17-8)4-7(6)12(14)15/h3-4H,1-2,5H2
InChI Key:
CLBIAIVJZNKTKZ-UHFFFAOYSA-N
SMILES:
O=C1OCCN1c1cc2OCOc2cc1[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.182g/mol
Monoisotopic Mass:
252.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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