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119982-27-3 | Methanone, phenyl[4-(trifluoromethyl)-1H-pyrrol-3-yl]-
CAS No: 119982-27-3 Catalog No: AG000PYU MDL No:
Product Description
Catalog Number:
AG000PYU
Chemical Name:
Methanone, phenyl[4-(trifluoromethyl)-1H-pyrrol-3-yl]-
CAS Number:
119982-27-3
Molecular Formula:
C12H8F3NO
Molecular Weight:
239.1932
IUPAC Name:
phenyl-[4-(trifluoromethyl)-1H-pyrrol-3-yl]methanone
InChI:
InChI=1S/C12H8F3NO/c13-12(14,15)10-7-16-6-9(10)11(17)8-4-2-1-3-5-8/h1-7,16H
InChI Key:
JGHGHHQQSMEQQB-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]cc1C(F)(F)F)c1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.197g/mol
Monoisotopic Mass:
239.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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