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Home > Nitro Compounds > 88690-79-3
88690-79-3 | 2H-1,3-Oxazine, tetrahydro-3-[(4-nitrobenzoyl)oxy]-2-(4-nitrophenyl)-
CAS No: 88690-79-3 Catalog No: AG0047U2 MDL No:
Product Description
Catalog Number:
AG0047U2
Chemical Name:
2H-1,3-Oxazine, tetrahydro-3-[(4-nitrobenzoyl)oxy]-2-(4-nitrophenyl)-
CAS Number:
88690-79-3
Molecular Formula:
C17H15N3O7
Molecular Weight:
373.3169
IUPAC Name:
[2-(4-nitrophenyl)-1,3-oxazinan-3-yl] 4-nitrobenzoate
InChI:
InChI=1S/C17H15N3O7/c21-17(13-4-8-15(9-5-13)20(24)25)27-18-10-1-11-26-16(18)12-2-6-14(7-3-12)19(22)23/h2-9,16H,1,10-11H2
InChI Key:
CGCZCNLWOWZDQP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])ON1CCCOC1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.091g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.321g/mol
Monoisotopic Mass:
373.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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