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Home > Fluorides > 1261813-10-8
1261813-10-8 | 1H-Isoindol-1-one, 2,3-dihydro-4-(trifluoromethyl)-
CAS No: 1261813-10-8 Catalog No: AG000S15 MDL No:MFCD18418132
Product Description
Catalog Number:
AG000S15
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-4-(trifluoromethyl)-
CAS Number:
1261813-10-8
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD18418132
IUPAC Name:
4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)7-3-1-2-5-6(7)4-13-8(5)14/h1-3H,4H2,(H,13,14)
InChI Key:
UYOAUXNGRMUPJJ-UHFFFAOYSA-N
SMILES:
O=C1NCc2c1cccc2C(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
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