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Home > Nitro Compounds > 79687-71-1
79687-71-1 | Furo[3,4-d]isoxazol-4(2H)-one, tetrahydro-3-(4-nitrophenyl)-2-phenyl-
CAS No: 79687-71-1 Catalog No: AG00579M MDL No:
Product Description
Catalog Number:
AG00579M
Chemical Name:
Furo[3,4-d]isoxazol-4(2H)-one, tetrahydro-3-(4-nitrophenyl)-2-phenyl-
CAS Number:
79687-71-1
Molecular Formula:
C17H14N2O5
Molecular Weight:
326.3035
IUPAC Name:
3-(4-nitrophenyl)-2-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-d][1,2]oxazol-4-one
InChI:
InChI=1S/C17H14N2O5/c20-17-15-14(10-23-17)24-18(12-4-2-1-3-5-12)16(15)11-6-8-13(9-7-11)19(21)22/h1-9,14-16H,10H2
InChI Key:
CNSNSXKQXOVZNW-UHFFFAOYSA-N
SMILES:
O=C1OCC2C1C(c1ccc(cc1)[N+](=O)[O-])N(O2)c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.308g/mol
Monoisotopic Mass:
326.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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