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123420-05-3 | 4(1H)-Quinolinone, 6-bromo-2-(methylthio)-
CAS No: 123420-05-3 Catalog No: AG000KJR MDL No:
Product Description
Catalog Number:
AG000KJR
Chemical Name:
4(1H)-Quinolinone, 6-bromo-2-(methylthio)-
CAS Number:
123420-05-3
Molecular Formula:
C10H8BrNOS
Molecular Weight:
270.1456
IUPAC Name:
6-bromo-2-methylsulfanyl-1H-quinolin-4-one
InChI:
InChI=1S/C10H8BrNOS/c1-14-10-5-9(13)7-4-6(11)2-3-8(7)12-10/h2-5H,1H3,(H,12,13)
InChI Key:
HCGPJXQDKLHRDG-UHFFFAOYSA-N
SMILES:
CSc1cc(=O)c2c([nH]1)ccc(c2)Br
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.144g/mol
Monoisotopic Mass:
268.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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