1-(3-bromomethyl-5-trifluoromethyl-phenyl)-5-methyl-1H-tetrazole

HCID 58993492

Notes Reactions

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Basic information

Standard SMILES: Cc1nnnn1-c1cc(CBr)cc(C(F)(F)F)c1
InChIKey: OOVFAAFQABNXLS-UHFFFAOYSA-N
Molecular formula: C10H8BrF3N4
Average molar mass: 321.1 g/mol
Monoisotopic mass: 319.98844

Names & identifiers

Preferred name: 1-(3-bromomethyl-5-trifluoromethyl-phenyl)-5-methyl-1H-tetrazole
IUPAC: 1-[3-(bromomethyl)-5-(trifluoromethyl)phenyl]-5-methyltetrazole

Names & synonyms

SCHEMBL3586826OOVFAAFQABNXLS-UHFFFAOYSA-N1-(3-bromomethyl-5-trifluoromethyl-phenyl)-5-methyl-1H-tetrazole1-(3-(Bromomethyl)-5-(trifluoromethyl)phenyl)-5-methyl-1H-tetrazole

Database identifiers

PubChem CID: 58993492

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 43.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 289

Related reactions

4 records

New reaction record

HRID 211247As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 391412As productuspto-grants-2013_02

HRID 391413As reactantuspto-grants-2013_02

HRID 2331571As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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