Home Nitros 5-Isoxazolamine, 3-(4-nitrophenyl)-

5-Isoxazolamine, 3-(4-nitrophenyl)-

CAS No.:
119162-48-0
Catalog Number:
AG000IA1
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
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Product Description
Catalog Number:
AG000IA1
Chemical Name:
5-Isoxazolamine, 3-(4-nitrophenyl)-
CAS Number:
119162-48-0
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD04621564
IUPAC Name:
3-(4-nitrophenyl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C9H7N3O3/c10-9-5-8(11-15-9)6-1-3-7(4-2-6)12(13)14/h1-5H,10H2
InChI Key:
FBFFBDKIJDJYKM-UHFFFAOYSA-N
SMILES:
Nc1onc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties