3-Chloro-2,4,5,6-tetrafluorobenzonitrile

HCID 11615422

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Basic information

CAS: 31881-88-6
Standard SMILES: N#Cc1c(F)c(F)c(F)c(Cl)c1F
InChIKey: SMPPDKRKAOZGQO-UHFFFAOYSA-N
Molecular formula: C7ClF4N
Average molar mass: 209.53 g/mol
Monoisotopic mass: 208.9655393

Names & identifiers

Preferred name: 3-Chloro-2,4,5,6-tetrafluorobenzonitrile
IUPAC: 3-chloro-2,4,5,6-tetrafluorobenzonitrile

Names & synonyms

31881-88-63-chloro-2,4,5,6-tetrafluorobenzonitrileBenzonitrile, 3-chloro-2,4,5,6-tetrafluoro-MFCD25460289C7ClF4N3-chloro-2,4,5,6-tetrafluoro-benzonitrileSCHEMBL64465523-Chloro-tetrafluorobenzonitrileDTXSID70469488SMPPDKRKAOZGQO-UHFFFAOYSA-N3-Chloro-2,4,5,6-tetrafluorobenzonitrile, 95%

Database identifiers

CAS: 31881-88-6
PubChem CID: 11615422
DTXSID: DTXSID70469488

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 240

Related reactions

1 records

New reaction record

HRID 1974783As reactantuspto-grants-1994_02

Compound notes

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