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Home > Fluorides > 130408-89-8
130408-89-8 | Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)-
CAS No: 130408-89-8 Catalog No: AG000UEA MDL No:MFCD12924726
Product Description
Catalog Number:
AG000UEA
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)-
CAS Number:
130408-89-8
Molecular Formula:
C6H4F3NO
Molecular Weight:
163.0973
MDL Number:
MFCD12924726
IUPAC Name:
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanone
InChI:
InChI=1S/C6H4F3NO/c7-6(8,9)5(11)4-1-2-10-3-4/h1-3,10H
InChI Key:
RJDXBZJGMUWDDH-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1c[nH]cc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.099g/mol
Monoisotopic Mass:
163.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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