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1248738-15-9 | 3-bromo-4-methylpicolinaldehyde
CAS No: 1248738-15-9 Catalog No: AG009JBA MDL No:MFCD23161604
Product Description
Catalog Number:
AG009JBA
Chemical Name:
3-bromo-4-methylpicolinaldehyde
CAS Number:
1248738-15-9
Molecular Formula:
C7H6BrNO
Molecular Weight:
200.0326
MDL Number:
MFCD23161604
IUPAC Name:
3-bromo-4-methylpyridine-2-carbaldehyde
InChI:
InChI=1S/C7H6BrNO/c1-5-2-3-9-6(4-10)7(5)8/h2-4H,1H3
InChI Key:
KEKLSHBXRCBCOG-UHFFFAOYSA-N
SMILES:
O=Cc1nccc(c1Br)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:
1.7
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