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62855-11-2 | Isoquinoline, 5-isothiocyanato- (9CI)
CAS No: 62855-11-2 Catalog No: AG00EZDG MDL No:
Product Description
Catalog Number:
AG00EZDG
Chemical Name:
Isoquinoline, 5-isothiocyanato- (9CI)
CAS Number:
62855-11-2
IUPAC Name:
5-isothiocyanatoisoquinoline
InChI:
InChI=1S/C10H6N2S/c13-7-12-10-3-1-2-8-6-11-5-4-9(8)10/h1-6H
InChI Key:
AMDNKJRTCIBIMK-UHFFFAOYSA-N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.232g/mol
Monoisotopic Mass:
186.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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