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Home > Bromides > 1227934-69-1
1227934-69-1 | 5-Oxazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, ethyl ester
CAS No: 1227934-69-1 Catalog No: AG000JGG MDL No:MFCD17926293
Product Description
Catalog Number:
AG000JGG
Chemical Name:
5-Oxazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, ethyl ester
CAS Number:
1227934-69-1
Molecular Formula:
C7H5BrF3NO3
Molecular Weight:
288.0187
MDL Number:
MFCD17926293
IUPAC Name:
ethyl 2-bromo-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C7H5BrF3NO3/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
InChI Key:
CNQYPGDMCBJWCI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc(nc1C(F)(F)F)Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.94g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.02g/mol
Monoisotopic Mass:
286.94g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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