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Home > Aldehydes > 834884-68-3
834884-68-3 | 6-(4-(Methylsulfonyl)phenyl)nicotinaldehyde
CAS No: 834884-68-3 Catalog No: AG004VR9 MDL No:
Product Description
Catalog Number:
AG004VR9
Chemical Name:
6-(4-(Methylsulfonyl)phenyl)nicotinaldehyde
CAS Number:
834884-68-3
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
IUPAC Name:
6-(4-methylsulfonylphenyl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C13H11NO3S/c1-18(16,17)12-5-3-11(4-6-12)13-7-2-10(9-15)8-14-13/h2-9H,1H3
InChI Key:
MKPJQVNERGVAGS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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