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16717-25-2 | 2(1H)-Quinolinone, 6-bromo-1-methyl-
CAS No: 16717-25-2 Catalog No: AG001X6U MDL No:MFCD11877921
Product Description
Catalog Number:
AG001X6U
Chemical Name:
2(1H)-Quinolinone, 6-bromo-1-methyl-
CAS Number:
16717-25-2
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD11877921
IUPAC Name:
6-bromo-1-methylquinolin-2-one
InChI:
InChI=1S/C10H8BrNO/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3
InChI Key:
XZCNHDAUOLXBPV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc(=O)n2C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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