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Home > Nitro Compounds > 88690-78-2
88690-78-2 | 2H-1,3-Oxazine, 3-(benzoyloxy)tetrahydro-2-(4-nitrophenyl)-
CAS No: 88690-78-2 Catalog No: AG0047U3 MDL No:
Product Description
Catalog Number:
AG0047U3
Chemical Name:
2H-1,3-Oxazine, 3-(benzoyloxy)tetrahydro-2-(4-nitrophenyl)-
CAS Number:
88690-78-2
Molecular Formula:
C17H16N2O5
Molecular Weight:
328.3193
IUPAC Name:
[2-(4-nitrophenyl)-1,3-oxazinan-3-yl] benzoate
InChI:
InChI=1S/C17H16N2O5/c20-17(14-5-2-1-3-6-14)24-18-11-4-12-23-16(18)13-7-9-15(10-8-13)19(21)22/h1-3,5-10,16H,4,11-12H2
InChI Key:
ZFHORURMFVDNCI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)ON1CCCOC1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.324g/mol
Monoisotopic Mass:
328.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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