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306936-05-0 | 2-Furancarboxaldehyde, 5-[4-fluoro-3-(trifluoromethyl)phenyl]-
CAS No: 306936-05-0 Catalog No: AG0030X7 MDL No:MFCD01571138
Product Description
Catalog Number:
AG0030X7
Chemical Name:
2-Furancarboxaldehyde, 5-[4-fluoro-3-(trifluoromethyl)phenyl]-
CAS Number:
306936-05-0
Molecular Formula:
C12H6F4O2
Molecular Weight:
258.1685
MDL Number:
MFCD01571138
IUPAC Name:
5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-carbaldehyde
InChI:
InChI=1S/C12H6F4O2/c13-10-3-1-7(5-9(10)12(14,15)16)11-4-2-8(6-17)18-11/h1-6H
InChI Key:
CBNXGQUIJRGZRX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.172g/mol
Monoisotopic Mass:
258.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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