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1283719-92-5 | Isoquinoline, 1-chloro-8-(trifluoromethyl)-
CAS No: 1283719-92-5 Catalog No: AG000Y0C MDL No:
Product Description
Catalog Number:
AG000Y0C
Chemical Name:
Isoquinoline, 1-chloro-8-(trifluoromethyl)-
CAS Number:
1283719-92-5
Molecular Formula:
C10H5ClF3N
Molecular Weight:
231.6016
IUPAC Name:
1-chloro-8-(trifluoromethyl)isoquinoline
InChI:
InChI=1S/C10H5ClF3N/c11-9-8-6(4-5-15-9)2-1-3-7(8)10(12,13)14/h1-5H
InChI Key:
UGZMKOLPFSYKLL-UHFFFAOYSA-N
SMILES:
Clc1nccc2c1c(ccc2)C(F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.602g/mol
Monoisotopic Mass:
231.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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