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Home > Aldehydes > 1289161-72-3
1289161-72-3 | 3-Pyridinecarboxaldehyde, 5-bromo-4-methoxy-
CAS No: 1289161-72-3 Catalog No: AG000YJB MDL No:MFCD28740848
Product Description
Catalog Number:
AG000YJB
Chemical Name:
3-Pyridinecarboxaldehyde, 5-bromo-4-methoxy-
CAS Number:
1289161-72-3
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD28740848
IUPAC Name:
5-bromo-4-methoxypyridine-3-carbaldehyde
InChI:
InChI=1S/C7H6BrNO2/c1-11-7-5(4-10)2-9-3-6(7)8/h2-4H,1H3
InChI Key:
KJOUTQXUAWDUAQ-UHFFFAOYSA-N
SMILES:
COc1c(C=O)cncc1Br
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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