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Home > Nitro Compounds > 88484-92-8
88484-92-8 | Ethanone, 1-[2,5-dimethyl-4-(2-nitrophenyl)-3-furanyl]-
CAS No: 88484-92-8 Catalog No: AG0049HU MDL No:
Product Description
Catalog Number:
AG0049HU
Chemical Name:
Ethanone, 1-[2,5-dimethyl-4-(2-nitrophenyl)-3-furanyl]-
CAS Number:
88484-92-8
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
1-[2,5-dimethyl-4-(2-nitrophenyl)furan-3-yl]ethanone
InChI:
InChI=1S/C14H13NO4/c1-8(16)13-9(2)19-10(3)14(13)11-6-4-5-7-12(11)15(17)18/h4-7H,1-3H3
InChI Key:
JIJLXRNSQGJBNJ-UHFFFAOYSA-N
SMILES:
Cc1oc(c(c1c1ccccc1[N+](=O)[O-])C(=O)C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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