3-Chloro-5-(2-chloro-3-fluoro-5-methoxyphenoxy)benzonitrile

HCID 44549247
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Basic information

CAS
920036-41-5
Standard SMILES
COc1cc(F)c(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1
InChIKey
SVECXBWWTQCLNV-UHFFFAOYSA-N
Molecular formula
C14H8Cl2FNO2
Average molar mass
312.1 g/mol
Monoisotopic mass
310.991612

Names & identifiers

Preferred name
3-Chloro-5-(2-chloro-3-fluoro-5-methoxyphenoxy)benzonitrile
IUPAC
3-chloro-5-(2-chloro-3-fluoro-5-methoxyphenoxy)benzonitrile

Names & synonyms

3-chloro-5-(2-chloro-3-fluoro-5-methoxyphenoxy)benzonitrile920036-41-5SCHEMBL3160328DTXSID50659300SVECXBWWTQCLNV-UHFFFAOYSA-N

Database identifiers

CAS
920036-41-5
PubChem CID
44549247
DTXSID
DTXSID50659300

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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