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112370-12-4 | 4-(3-Thienyl)isoquinoline
CAS No: 112370-12-4 Catalog No: AG01FFHM MDL No:
Product Description
Catalog Number:
AG01FFHM
Chemical Name:
4-(3-Thienyl)isoquinoline
CAS Number:
112370-12-4
Molecular Formula:
C13H9NS
Molecular Weight:
211.2823
IUPAC Name:
4-thiophen-3-ylisoquinoline
InChI:
InChI=1S/C13H9NS/c1-2-4-12-10(3-1)7-14-8-13(12)11-5-6-15-9-11/h1-9H
InChI Key:
NEHUZGCWUGZUKQ-UHFFFAOYSA-N
SMILES:
c1scc(c1)c1cncc2c1cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.282g/mol
Monoisotopic Mass:
211.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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