Home Other Building Blocks 8-(trifluoroMethyl)isoquinolin-3-ol

8-(trifluoroMethyl)isoquinolin-3-ol

CAS No.:
1175271-71-2
Catalog Number:
AG008WDB
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
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Product Description
Catalog Number:
AG008WDB
Chemical Name:
8-(trifluoroMethyl)isoquinolin-3-ol
CAS Number:
1175271-71-2
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
MDL Number:
MFCD22380393
IUPAC Name:
8-(trifluoromethyl)-2H-isoquinolin-3-one
InChI:
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-6-4-9(15)14-5-7(6)8/h1-5H,(H,14,15)
InChI Key:
GHLCOMBXKHUYLA-UHFFFAOYSA-N
SMILES:
Oc1cnc2c(c1)cccc2C(F)(F)F
Properties
Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.159g/mol
Monoisotopic Mass:
213.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties