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1201845-05-7 | 2(1H)-Quinoxalinone, 3-amino-7-bromo-
CAS No: 1201845-05-7 Catalog No: AG000QI7 MDL No:MFCD16987804
Product Description
Catalog Number:
AG000QI7
Chemical Name:
2(1H)-Quinoxalinone, 3-amino-7-bromo-
CAS Number:
1201845-05-7
Molecular Formula:
C8H6BrN3O
Molecular Weight:
240.0567
MDL Number:
MFCD16987804
IUPAC Name:
3-amino-7-bromo-1H-quinoxalin-2-one
InChI:
InChI=1S/C8H6BrN3O/c9-4-1-2-5-6(3-4)12-8(13)7(10)11-5/h1-3H,(H2,10,11)(H,12,13)
InChI Key:
MSLOTKNTSSLLGK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(=O)c(n2)N
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.06g/mol
Monoisotopic Mass:
238.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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