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Home > Nitro Compounds > 126633-02-1
126633-02-1 | Isoxazole, 5-(3-nitrophenyl)-
CAS No: 126633-02-1 Catalog No: AG000T10 MDL No:MFCD02183546
Product Description
Catalog Number:
AG000T10
Chemical Name:
Isoxazole, 5-(3-nitrophenyl)-
CAS Number:
126633-02-1
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD02183546
IUPAC Name:
5-(3-nitrophenyl)-1,2-oxazole
InChI:
InChI=1S/C9H6N2O3/c12-11(13)8-3-1-2-7(6-8)9-4-5-10-14-9/h1-6H
InChI Key:
RGDHTIOOORKVRQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ccno1
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:
1.9
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