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119982-26-2 | 1H-Pyrrole, 3-ethyl-4-(trifluoromethyl)-
CAS No: 119982-26-2 Catalog No: AG000PYV MDL No:
Product Description
Catalog Number:
AG000PYV
Chemical Name:
1H-Pyrrole, 3-ethyl-4-(trifluoromethyl)-
CAS Number:
119982-26-2
Molecular Formula:
C7H8F3N
Molecular Weight:
163.1403
IUPAC Name:
3-ethyl-4-(trifluoromethyl)-1H-pyrrole
InChI:
InChI=1S/C7H8F3N/c1-2-5-3-11-4-6(5)7(8,9)10/h3-4,11H,2H2,1H3
InChI Key:
CABYQZKQVPWHMQ-UHFFFAOYSA-N
SMILES:
CCc1c[nH]cc1C(F)(F)F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.143g/mol
Monoisotopic Mass:
163.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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