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17515-76-3 | 3-Furancarboxylic acid, 5-(bromomethyl)-2-(trifluoromethyl)-, ethyl ester
CAS No: 17515-76-3 Catalog No: AG0020DA MDL No:
Product Description
Catalog Number:
AG0020DA
Chemical Name:
3-Furancarboxylic acid, 5-(bromomethyl)-2-(trifluoromethyl)-, ethyl ester
CAS Number:
17515-76-3
Molecular Formula:
C9H8BrF3O3
Molecular Weight:
301.0572
IUPAC Name:
ethyl 5-(bromomethyl)-2-(trifluoromethyl)furan-3-carboxylate
InChI:
InChI=1S/C9H8BrF3O3/c1-2-15-8(14)6-3-5(4-10)16-7(6)9(11,12)13/h3H,2,4H2,1H3
InChI Key:
BQWRJPDQNGGFSN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(oc1C(F)(F)F)CBr
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.961g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.059g/mol
Monoisotopic Mass:
299.961g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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