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66604-40-8 | 8-Quinolinol, 5-isothiocyanato-
CAS No: 66604-40-8 Catalog No: AG00H86C MDL No:MFCD24720296
Product Description
Catalog Number:
AG00H86C
Chemical Name:
8-Quinolinol, 5-isothiocyanato-
CAS Number:
66604-40-8
Molecular Formula:
C10H6N2OS
Molecular Weight:
202.2324
MDL Number:
MFCD24720296
IUPAC Name:
5-isothiocyanatoquinolin-8-ol
InChI:
InChI=1S/C10H6N2OS/c13-9-4-3-8(12-6-14)7-2-1-5-11-10(7)9/h1-5,13H
InChI Key:
QRNODIRURHDXLN-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c2c1cccn2)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.231g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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