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73415-87-9 | Ethanone,1-(1-ethenyl-1H-pyrrol-2-yl)-2,2,2-trifluoro-
CAS No: 73415-87-9 Catalog No: AG005E41 MDL No:
Product Description
Catalog Number:
AG005E41
Chemical Name:
Ethanone,1-(1-ethenyl-1H-pyrrol-2-yl)-2,2,2-trifluoro-
CAS Number:
73415-87-9
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
IUPAC Name:
1-(1-ethenylpyrrol-2-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H6F3NO/c1-2-12-5-3-4-6(12)7(13)8(9,10)11/h2-5H,1H2
InChI Key:
PMHDRCHXZLATHI-UHFFFAOYSA-N
SMILES:
C=Cn1cccc1C(=O)C(F)(F)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.137g/mol
Monoisotopic Mass:
189.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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