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64819-85-8 | Quinoline, 6-(2-benzothiazolyl)-4-methyl-
CAS No: 64819-85-8 Catalog No: AG00H5YZ MDL No:
Product Description
Catalog Number:
AG00H5YZ
Chemical Name:
Quinoline, 6-(2-benzothiazolyl)-4-methyl-
CAS Number:
64819-85-8
Molecular Formula:
C17H12N2S
Molecular Weight:
276.3556
IUPAC Name:
2-(4-methylquinolin-6-yl)-1,3-benzothiazole
InChI:
InChI=1S/C17H12N2S/c1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15-4-2-3-5-16(15)20-17/h2-10H,1H3
InChI Key:
OVAAXSLQHZGGGL-UHFFFAOYSA-N
SMILES:
Cc1ccnc2c1cc(cc2)c1nc2c(s1)cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.357g/mol
Monoisotopic Mass:
276.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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