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1196154-02-5 | Isoquinoline, 1-chloro-7-(trifluoromethyl)-
CAS No: 1196154-02-5 Catalog No: AG000PCA MDL No:MFCD13189941
Product Description
Catalog Number:
AG000PCA
Chemical Name:
Isoquinoline, 1-chloro-7-(trifluoromethyl)-
CAS Number:
1196154-02-5
Molecular Formula:
C10H5ClF3N
Molecular Weight:
231.6016
MDL Number:
MFCD13189941
IUPAC Name:
1-chloro-7-(trifluoromethyl)isoquinoline
InChI:
InChI=1S/C10H5ClF3N/c11-9-8-5-7(10(12,13)14)2-1-6(8)3-4-15-9/h1-5H
InChI Key:
IDLZWSXTPUMLMP-UHFFFAOYSA-N
SMILES:
Clc1nccc2c1cc(cc2)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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