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89142-12-1 | 2-Quinoxalinecarboxylic acid, 6-bromo-3-methyl-, ethyl ester
CAS No: 89142-12-1 Catalog No: AG003WX2 MDL No:
Product Description
Catalog Number:
AG003WX2
Chemical Name:
2-Quinoxalinecarboxylic acid, 6-bromo-3-methyl-, ethyl ester
CAS Number:
89142-12-1
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
IUPAC Name:
ethyl 6-bromo-3-methylquinoxaline-2-carboxylate
InChI:
InChI=1S/C12H11BrN2O2/c1-3-17-12(16)11-7(2)14-10-6-8(13)4-5-9(10)15-11/h4-6H,3H2,1-2H3
InChI Key:
ORAOJUQWLRYDSP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2ccc(cc2nc1C)Br
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
294g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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