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89334-32-7 | 5-Quinoxalinecarboxaldehyde, 8-acetyl-6-bromo-1,2,3,4-tetrahydro-
CAS No: 89334-32-7 Catalog No: AG0086S4 MDL No:
Product Description
Catalog Number:
AG0086S4
Chemical Name:
5-Quinoxalinecarboxaldehyde, 8-acetyl-6-bromo-1,2,3,4-tetrahydro-
CAS Number:
89334-32-7
Molecular Formula:
C11H11BrN2O2
Molecular Weight:
283.1212
IUPAC Name:
8-acetyl-6-bromo-1,2,3,4-tetrahydroquinoxaline-5-carbaldehyde
InChI:
InChI=1S/C11H11BrN2O2/c1-6(16)7-4-9(12)8(5-15)11-10(7)13-2-3-14-11/h4-5,13-14H,2-3H2,1H3
InChI Key:
QHOUORLMFJGJQY-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)cc(c2c1NCCN2)C(=O)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.125g/mol
Monoisotopic Mass:
282g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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