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Home > Nitro Compounds > 89808-77-5
89808-77-5 | 5-(3-Nitrophenyl)oxazole
CAS No: 89808-77-5 Catalog No: AG003M4R MDL No:MFCD00085147
Product Description
Catalog Number:
AG003M4R
Chemical Name:
5-(3-Nitrophenyl)oxazole
CAS Number:
89808-77-5
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD00085147
IUPAC Name:
5-(3-nitrophenyl)-1,3-oxazole
InChI:
InChI=1S/C9H6N2O3/c12-11(13)8-3-1-2-7(4-8)9-5-10-6-14-9/h1-6H
InChI Key:
ALXACHUFQSLYBV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cnco1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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