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Home > Nitro Compounds > 886502-73-4
886502-73-4 | 1-[5-(4-Methyl-2-nitro-phenyl)-furan-2-yl]-ethanone
CAS No: 886502-73-4 Catalog No: AG01EYF7 MDL No:
Product Description
Catalog Number:
AG01EYF7
Chemical Name:
1-[5-(4-Methyl-2-nitro-phenyl)-furan-2-yl]-ethanone
CAS Number:
886502-73-4
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]ethanone
InChI:
InChI=1S/C13H11NO4/c1-8-3-4-10(11(7-8)14(16)17)13-6-5-12(18-13)9(2)15/h3-7H,1-2H3
InChI Key:
SRGQWUHXQVTLLA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)C(=O)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/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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