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168214-53-7 | 2,4(1H,3H)-Quinolinedione, 3-bromo-3-methyl-
CAS No: 168214-53-7 Catalog No: AG001XWY MDL No:
Product Description
Catalog Number:
AG001XWY
Chemical Name:
2,4(1H,3H)-Quinolinedione, 3-bromo-3-methyl-
CAS Number:
168214-53-7
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
IUPAC Name:
3-bromo-3-methyl-1H-quinoline-2,4-dione
InChI:
InChI=1S/C10H8BrNO2/c1-10(11)8(13)6-4-2-3-5-7(6)12-9(10)14/h2-5H,1H3,(H,12,14)
InChI Key:
YOXPJYASGSPETG-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C(=O)C1(C)Br
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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