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1105191-49-8 | Methyl 5-(2,4-difluorophenyl)isoxazole-3-carboxylate
CAS No: 1105191-49-8 Catalog No: AG003RWB MDL No:MFCD11986431
Product Description
Catalog Number:
AG003RWB
Chemical Name:
Methyl 5-(2,4-difluorophenyl)isoxazole-3-carboxylate
CAS Number:
1105191-49-8
Molecular Formula:
C11H7F2NO3
Molecular Weight:
239.1750
MDL Number:
MFCD11986431
IUPAC Name:
methyl 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C11H7F2NO3/c1-16-11(15)9-5-10(17-14-9)7-3-2-6(12)4-8(7)13/h2-5H,1H3
InChI Key:
FVQQUERDPUGSJW-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1ccc(cc1F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.178g/mol
Monoisotopic Mass:
239.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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