Home Other Building Blocks 5-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one

5-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one

CAS No.:
1261590-26-4
Catalog Number:
AG01B8YU
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
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Product Description
Catalog Number:
AG01B8YU
Chemical Name:
5-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one
CAS Number:
1261590-26-4
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD18418133
IUPAC Name:
5-(trifluoromethyl)-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)6-1-2-7-5(3-6)4-13-8(7)14/h1-3H,4H2,(H,13,14)
InChI Key:
LGMSAQINGSZASV-UHFFFAOYSA-N
SMILES:
O=C1NCc2c1ccc(c2)C(F)(F)F
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties