2-(7-Bromo-3-chloromethyl-naphthalen-1-yloxy)-5-ethanesulfonyl-pyridine

HCID 59326598
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Basic information

Standard SMILES
CCS(=O)(=O)c1ccc(Oc2cc(CCl)cc3ccc(Br)cc23)nc1
InChIKey
DYQVSJYRRAJTIF-UHFFFAOYSA-N
Molecular formula
C18H15BrClNO3S
Average molar mass
440.7 g/mol
Monoisotopic mass
438.96445

Names & identifiers

Preferred name
2-(7-Bromo-3-chloromethyl-naphthalen-1-yloxy)-5-ethanesulfonyl-pyridine
IUPAC
2-[7-bromo-3-(chloromethyl)naphthalen-1-yl]oxy-5-ethylsulfonylpyridine

Names & synonyms

SCHEMBL2173576DYQVSJYRRAJTIF-UHFFFAOYSA-N2-(7-bromo-3-chloromethyl-naphthalen-1-yloxy)-5-ethanesulfonyl-pyridine

Database identifiers

PubChem CID
59326598

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
64.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

Related reactions

1 records
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Compound notes

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