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161987-10-6 | Oxazole, 2-(4-bromo-2-nitrophenyl)-
CAS No: 161987-10-6 Catalog No: AG001SLJ MDL No:
Product Description
Catalog Number:
AG001SLJ
Chemical Name:
Oxazole, 2-(4-bromo-2-nitrophenyl)-
CAS Number:
161987-10-6
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
IUPAC Name:
2-(4-bromo-2-nitrophenyl)-1,3-oxazole
InChI:
InChI=1S/C9H5BrN2O3/c10-6-1-2-7(8(5-6)12(13)14)9-11-3-4-15-9/h1-5H
InChI Key:
WCZJOBBXWWZYDK-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[N+](=O)[O-])c1ncco1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.054g/mol
Monoisotopic Mass:
267.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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