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Home > Bromides > 1159978-82-1
1159978-82-1 | 4-Isoxazolecarboxylic acid, 3-(4-bromophenyl)-5-(trifluoromethyl)-
CAS No: 1159978-82-1 Catalog No: AG000HEH MDL No:
Product Description
Catalog Number:
AG000HEH
Chemical Name:
4-Isoxazolecarboxylic acid, 3-(4-bromophenyl)-5-(trifluoromethyl)-
CAS Number:
1159978-82-1
Molecular Formula:
C11H5BrF3NO3
Molecular Weight:
336.0615
IUPAC Name:
3-(4-bromophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C11H5BrF3NO3/c12-6-3-1-5(2-4-6)8-7(10(17)18)9(19-16-8)11(13,14)15/h1-4H,(H,17,18)
InChI Key:
ITXIEESFOXYALY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1noc(c1C(=O)O)C(F)(F)F
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.94g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.064g/mol
Monoisotopic Mass:
334.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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