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2101944-50-5 | 8-bromoquinoxaline-5-carbaldehyde
CAS No: 2101944-50-5 Catalog No: AG01DGZW MDL No:
Product Description
Catalog Number:
AG01DGZW
Chemical Name:
8-bromoquinoxaline-5-carbaldehyde
CAS Number:
2101944-50-5
Molecular Formula:
C9H5BrN2O
Molecular Weight:
237.0528
IUPAC Name:
8-bromoquinoxaline-5-carbaldehyde
InChI:
InChI=1S/C9H5BrN2O/c10-7-2-1-6(5-13)8-9(7)12-4-3-11-8/h1-5H
InChI Key:
XWSZOHAKJGMUTN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1nccn2)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.056g/mol
Monoisotopic Mass:
235.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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