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Home > Fluorides > 1365759-12-1
1365759-12-1 | 1(2H)-Isoquinolinone, 3,4-dihydro-7-(trifluoromethyl)-
CAS No: 1365759-12-1 Catalog No: AG00122V MDL No:MFCD22543895
Product Description
Catalog Number:
AG00122V
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-7-(trifluoromethyl)-
CAS Number:
1365759-12-1
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
MDL Number:
MFCD22543895
IUPAC Name:
7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H8F3NO/c11-10(12,13)7-2-1-6-3-4-14-9(15)8(6)5-7/h1-2,5H,3-4H2,(H,14,15)
InChI Key:
PWZSJDNHPNHZMD-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cc(cc2)C(F)(F)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.175g/mol
Monoisotopic Mass:
215.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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