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88051-09-6 | ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate
CAS No: 88051-09-6 Catalog No: AG004ITS MDL No:
Product Description
Catalog Number:
AG004ITS
Chemical Name:
ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate
CAS Number:
88051-09-6
Molecular Formula:
C12H11BrN2O3
Molecular Weight:
311.1313
IUPAC Name:
ethyl 2-bromo-2-(3-oxo-4H-quinoxalin-2-yl)acetate
InChI:
InChI=1S/C12H11BrN2O3/c1-2-18-12(17)9(13)10-11(16)15-8-6-4-3-5-7(8)14-10/h3-6,9H,2H2,1H3,(H,15,16)
InChI Key:
HQNRIYDQTYXGKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1nc2ccccc2[nH]c1=O)Br
NSC Number:
99079
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.135g/mol
Monoisotopic Mass:
309.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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