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Home > Nitro Compounds > 52063-44-2
52063-44-2 | 3-methyl-5-(4-nitrophenyl)-1,2-oxazole
CAS No: 52063-44-2 Catalog No: AG01BOHU MDL No:MFCD00957058
Product Description
Catalog Number:
AG01BOHU
Chemical Name:
3-methyl-5-(4-nitrophenyl)-1,2-oxazole
CAS Number:
52063-44-2
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD00957058
IUPAC Name:
3-methyl-5-(4-nitrophenyl)-1,2-oxazole
InChI:
InChI=1S/C10H8N2O3/c1-7-6-10(15-11-7)8-2-4-9(5-3-8)12(13)14/h2-6H,1H3
InChI Key:
ZRHPSNBHAVUQOL-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
233
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:
2.3
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