2H-Tetrazole, 2-(4-bromophenyl)-

HCID 560804

Notes Reactions

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Basic information

CAS: 57058-02-3
Standard SMILES: Brc1ccc(-n2ncnn2)cc1
InChIKey: NMZGXHGKHYWJFI-UHFFFAOYSA-N
Molecular formula: C7H5BrN4
Average molar mass: 225.05 g/mol
Monoisotopic mass: 223.96976

Names & identifiers

Preferred name: 2H-Tetrazole, 2-(4-bromophenyl)-
IUPAC: 2-(4-bromophenyl)tetrazole
English name: 2-(4-Bromophenyl)-2H-tetrazole
Molecular weight: 0

Names & synonyms

2-(4-bromophenyl)-2H-tetrazole57058-02-32H-Tetrazole, 2-(4-bromophenyl)-2-(4-bromophenyl)tetrazole4-(Tetrazol-2-yl)bromobenzeneSCHEMBL7400517DTXSID2013065222-(4-bromophenyl)-2H -tetrazole2-(4-Bromophenyl)-2H-tetraazole #DB-121654

Database identifiers

CAS: 57058-02-3
PubChem CID: 560804
DTXSID: DTXSID201306522
Nikkaji: J127.266G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 43.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 146

Related reactions

2 records

New reaction record

HRID 2392658As reactantuspto-grants-1998_09

HRID 2392676As productuspto-grants-1998_09

Compound notes

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