Home Halogens 3-Pyridinecarboxaldehyde, 5-bromo-4-hydroxy-

3-Pyridinecarboxaldehyde, 5-bromo-4-hydroxy-

CAS No.:
1289109-05-2
Catalog Number:
AG000YIK
Molecular Formula:
C6H4BrNO2
Molecular Weight:
202.0055
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Product Description
Catalog Number:
AG000YIK
Chemical Name:
3-Pyridinecarboxaldehyde, 5-bromo-4-hydroxy-
CAS Number:
1289109-05-2
Molecular Formula:
C6H4BrNO2
Molecular Weight:
202.0055
MDL Number:
MFCD22547734
IUPAC Name:
5-bromo-4-oxo-1H-pyridine-3-carbaldehyde
InChI:
InChI=1S/C6H4BrNO2/c7-5-2-8-1-4(3-9)6(5)10/h1-3H,(H,8,10)
InChI Key:
KPMMFNJPSDBZTB-UHFFFAOYSA-N
SMILES:
O=Cc1cncc(c1O)Br
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.943g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.007g/mol
Monoisotopic Mass:
200.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties