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517870-18-7 | Methyl 5-(3-nitrophenyl)isoxazole-3-carboxylate
CAS No: 517870-18-7 Catalog No: AG003RWJ MDL No:MFCD03778971
Product Description
Catalog Number:
AG003RWJ
Chemical Name:
Methyl 5-(3-nitrophenyl)isoxazole-3-carboxylate
CAS Number:
517870-18-7
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
MDL Number:
MFCD03778971
IUPAC Name:
methyl 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C11H8N2O5/c1-17-11(14)9-6-10(18-12-9)7-3-2-4-8(5-7)13(15)16/h2-6H,1H3
InChI Key:
DOVZTWUWELAMQM-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.194g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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