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Home > Nitro Compounds > 52829-70-6
52829-70-6 | 5-Methyl-2-(2-nitrophenyl);oxazole
CAS No: 52829-70-6 Catalog No: AG003MUX MDL No:MFCD09801026
Product Description
Catalog Number:
AG003MUX
Chemical Name:
5-Methyl-2-(2-nitrophenyl);oxazole
CAS Number:
52829-70-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD09801026
IUPAC Name:
5-methyl-2-(2-nitrophenyl)-1,3-oxazole
InChI:
InChI=1S/C10H8N2O3/c1-7-6-11-10(15-7)8-4-2-3-5-9(8)12(13)14/h2-6H,1H3
InChI Key:
CJAARHWYECEAFS-UHFFFAOYSA-N
SMILES:
Cc1cnc(o1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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