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1375064-51-9 | 3-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-, methyl ester
CAS No: 1375064-51-9 Catalog No: AG0013F7 MDL No:MFCD22192326
Product Description
Catalog Number:
AG0013F7
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-, methyl ester
CAS Number:
1375064-51-9
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
MDL Number:
MFCD22192326
IUPAC Name:
methyl 5-(2-nitrophenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C11H8N2O5/c1-17-11(14)8-6-10(18-12-8)7-4-2-3-5-9(7)13(15)16/h2-6H,1H3
InChI Key:
NVHNLFNZDOHJQJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1ccccc1[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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