Home Other Building Blocks 2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one

2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one

CAS No.:
327085-04-1
Catalog Number:
AG01A7OT
Molecular Formula:
C16H14F3NO
Molecular Weight:
293.2837
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Product Description
Catalog Number:
AG01A7OT
Chemical Name:
2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one
CAS Number:
327085-04-1
Molecular Formula:
C16H14F3NO
Molecular Weight:
293.2837
MDL Number:
MFCD02707507
IUPAC Name:
2-methyl-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-indol-4-one
InChI:
InChI=1S/C16H14F3NO/c1-10-8-13-14(6-3-7-15(13)21)20(10)12-5-2-4-11(9-12)16(17,18)19/h2,4-5,8-9H,3,6-7H2,1H3
InChI Key:
AKKHAWKRXWNILC-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc(n2c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.103g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.289g/mol
Monoisotopic Mass:
293.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties