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220652-98-2 | 3-Methyl-5-(4-trifluoromethyl-phenyl)-isoxazole-4-carboxylic acid
CAS No: 220652-98-2 Catalog No: AG01FGYU MDL No:
Product Description
Catalog Number:
AG01FGYU
Chemical Name:
3-Methyl-5-(4-trifluoromethyl-phenyl)-isoxazole-4-carboxylic acid
CAS Number:
220652-98-2
IUPAC Name:
3-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C12H8F3NO3/c1-6-9(11(17)18)10(19-16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)
InChI Key:
KKBNIKSAHYTCBK-UHFFFAOYSA-N
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.195g/mol
Monoisotopic Mass:
271.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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