5-(2-Bromo-4-chloro-6-fluoro-phenyl)-2H-tetrazole

HCID 67979289

Notes Reactions

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Basic information

Standard SMILES: Fc1cc(Cl)cc(Br)c1-c1nn[nH]n1
InChIKey: HMKNUYIJCMWECB-UHFFFAOYSA-N
Molecular formula: C7H3BrClFN4
Average molar mass: 277.48 g/mol
Monoisotopic mass: 275.92136

Names & identifiers

Preferred name: 5-(2-Bromo-4-chloro-6-fluoro-phenyl)-2H-tetrazole
IUPAC: 5-(2-bromo-4-chloro-6-fluorophenyl)-2H-tetrazole

Names & synonyms

SCHEMBL3621640SCHEMBL9947818HMKNUYIJCMWECB-UHFFFAOYSA-N5-(2-bromo-4-chloro-6-fluorophenyl)-1h-tetrazole5-(2-Bromo-4-chloro-6-fluoro-phenyl)-2H-tetrazole

Database identifiers

PubChem CID: 67979289

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 210

Related reactions

5 records

New reaction record

HRID 1404558As productuspto-grants-2014_12

HRID 1404559As reactantuspto-grants-2014_12

HRID 2046569As productuspto-grants-2013_11

HRID 2046570As reactantuspto-grants-2013_11

HRID 2319376As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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