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144224-14-6 | 1,10-Phenanthroline-2(1H)-thione, 9-chloro-
CAS No: 144224-14-6 Catalog No: AG001J4I MDL No:
Product Description
Catalog Number:
AG001J4I
Chemical Name:
1,10-Phenanthroline-2(1H)-thione, 9-chloro-
CAS Number:
144224-14-6
Molecular Formula:
C12H7ClN2S
Molecular Weight:
246.7154
IUPAC Name:
9-chloro-1H-1,10-phenanthroline-2-thione
InChI:
InChI=1S/C12H7ClN2S/c13-9-5-3-7-1-2-8-4-6-10(16)15-12(8)11(7)14-9/h1-6H,(H,15,16)
InChI Key:
BUSQXDUHXUSOEL-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)c1[nH]c(=S)ccc1cc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.712g/mol
Monoisotopic Mass:
246.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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