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Home > Aldehydes > 1174028-20-6
1174028-20-6 | 3-Pyridinecarboxaldehyde, 5-bromo-6-methyl-
CAS No: 1174028-20-6 Catalog No: AG000E83 MDL No:MFCD16249549
Product Description
Catalog Number:
AG000E83
Chemical Name:
3-Pyridinecarboxaldehyde, 5-bromo-6-methyl-
CAS Number:
1174028-20-6
Molecular Formula:
C7H6BrNO
Molecular Weight:
200.0326
MDL Number:
MFCD16249549
IUPAC Name:
5-bromo-6-methylpyridine-3-carbaldehyde
InChI:
InChI=1S/C7H6BrNO/c1-5-7(8)2-6(4-10)3-9-5/h2-4H,1H3
InChI Key:
YOKBWADWPYRVJS-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(c(c1)Br)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.963g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.035g/mol
Monoisotopic Mass:
198.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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