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229957-02-2 | 3-Furancarboxylic acid, 5-(4-bromophenyl)-2-(trifluoromethyl)-
CAS No: 229957-02-2 Catalog No: AG002LSP MDL No:MFCD01313498
Product Description
Catalog Number:
AG002LSP
Chemical Name:
3-Furancarboxylic acid, 5-(4-bromophenyl)-2-(trifluoromethyl)-
CAS Number:
229957-02-2
Molecular Formula:
C12H6BrF3O3
Molecular Weight:
335.0734
MDL Number:
MFCD01313498
IUPAC Name:
5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
InChI:
InChI=1S/C12H6BrF3O3/c13-7-3-1-6(2-4-7)9-5-8(11(17)18)10(19-9)12(14,15)16/h1-5H,(H,17,18)
InChI Key:
CCKZULNPDWAPMX-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cc(c(o1)C(F)(F)F)C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.945g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.076g/mol
Monoisotopic Mass:
333.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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