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Home > Nitro Compounds > 66692-96-4
66692-96-4 | Isoxazole, 5-(4-methylphenyl)-4-nitro-3-phenyl-
CAS No: 66692-96-4 Catalog No: AG00H73M MDL No:
Product Description
Catalog Number:
AG00H73M
Chemical Name:
Isoxazole, 5-(4-methylphenyl)-4-nitro-3-phenyl-
CAS Number:
66692-96-4
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
5-(4-methylphenyl)-4-nitro-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C16H12N2O3/c1-11-7-9-13(10-8-11)16-15(18(19)20)14(17-21-16)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
FSRBSTKSZSEXQX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1onc(c1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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