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1187163-17-2 | 4-(5-Chloro-2-thienyl)isoquinoline
CAS No: 1187163-17-2 Catalog No: AG01FE2B MDL No:
Product Description
Catalog Number:
AG01FE2B
Chemical Name:
4-(5-Chloro-2-thienyl)isoquinoline
CAS Number:
1187163-17-2
Molecular Formula:
C13H8ClNS
Molecular Weight:
245.7273
IUPAC Name:
4-(5-chlorothiophen-2-yl)isoquinoline
InChI:
InChI=1S/C13H8ClNS/c14-13-6-5-12(16-13)11-8-15-7-9-3-1-2-4-10(9)11/h1-8H
InChI Key:
YBQDNYCAPSDDLN-UHFFFAOYSA-N
SMILES:
Clc1ccc(s1)c1cncc2c1cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.724g/mol
Monoisotopic Mass:
245.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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