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Home > Nitro Compounds > 79510-55-7
79510-55-7 | Isoxazole, 3-methyl-5-[2-(4-methylphenyl)ethenyl]-4-nitro-
CAS No: 79510-55-7 Catalog No: AG0051EF MDL No:
Product Description
Catalog Number:
AG0051EF
Chemical Name:
Isoxazole, 3-methyl-5-[2-(4-methylphenyl)ethenyl]-4-nitro-
CAS Number:
79510-55-7
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
3-methyl-5-[2-(4-methylphenyl)ethenyl]-4-nitro-1,2-oxazole
InChI:
InChI=1S/C13H12N2O3/c1-9-3-5-11(6-4-9)7-8-12-13(15(16)17)10(2)14-18-12/h3-8H,1-2H3
InChI Key:
PRCTVSQZQADBCX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=Cc1onc(c1[N+](=O)[O-])C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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