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Home > Aldehydes > 835875-79-1
835875-79-1 | 3-Pyridinecarboxaldehyde, 2,6-dichloro-4-[(phenylsulfonyl)methyl]-
CAS No: 835875-79-1 Catalog No: AG0057EZ MDL No:
Product Description
Catalog Number:
AG0057EZ
Chemical Name:
3-Pyridinecarboxaldehyde, 2,6-dichloro-4-[(phenylsulfonyl)methyl]-
CAS Number:
835875-79-1
Molecular Formula:
C13H9Cl2NO3S
Molecular Weight:
330.1865
IUPAC Name:
4-(benzenesulfonylmethyl)-2,6-dichloropyridine-3-carbaldehyde
InChI:
InChI=1S/C13H9Cl2NO3S/c14-12-6-9(11(7-17)13(15)16-12)8-20(18,19)10-4-2-1-3-5-10/h1-7H,8H2
InChI Key:
WHVHRFKQSNVVPJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nc(cc1CS(=O)(=O)c1ccccc1)Cl
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.968g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.179g/mol
Monoisotopic Mass:
328.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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