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1105191-64-7 | [5-(2,4-Difluorophenyl)isoxazol-3-yl]acetic acid
CAS No: 1105191-64-7 Catalog No: AG01FLRX MDL No:MFCD16652869
Product Description
Catalog Number:
AG01FLRX
Chemical Name:
[5-(2,4-Difluorophenyl)isoxazol-3-yl]acetic acid
CAS Number:
1105191-64-7
Molecular Formula:
C11H7F2NO3
Molecular Weight:
239.1750
MDL Number:
MFCD16652869
IUPAC Name:
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetic acid
InChI:
InChI=1S/C11H7F2NO3/c12-6-1-2-8(9(13)3-6)10-4-7(14-17-10)5-11(15)16/h1-4H,5H2,(H,15,16)
InChI Key:
AKTIFKJPWGNOGG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1noc(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:
1
Isotope Atom Count:
0
Molecular Weight:
239.178g/mol
Monoisotopic Mass:
239.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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