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Home > Fluorides > 1194375-62-6
1194375-62-6 | Isoquinoline, 6-(trifluoromethyl)-
CAS No: 1194375-62-6 Catalog No: AG000IRY MDL No:MFCD11226967
Product Description
Catalog Number:
AG000IRY
Chemical Name:
Isoquinoline, 6-(trifluoromethyl)-
CAS Number:
1194375-62-6
Molecular Formula:
C10H6F3N
Molecular Weight:
197.1565
MDL Number:
MFCD11226967
IUPAC Name:
6-(trifluoromethyl)isoquinoline
InChI:
InChI=1S/C10H6F3N/c11-10(12,13)9-2-1-8-6-14-4-3-7(8)5-9/h1-6H
InChI Key:
FFXLPXFDDMEXSB-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)ccnc2)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.16g/mol
Monoisotopic Mass:
197.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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