5-(4'-bromethybiphenyl-2-yl)-1-(4-nitrophenyl)-1H-tetrazol

HCID 53784464
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2-c2ccc(CCBr)cc2)cc1
InChIKey
DXMWDVMMOVRJCT-UHFFFAOYSA-N
Molecular formula
C21H16BrN5O2
Average molar mass
450.3 g/mol

Names & identifiers

Preferred name
5-(4'-bromethybiphenyl-2-yl)-1-(4-nitrophenyl)-1H-tetrazol
IUPAC
5-[2-[4-(2-bromoethyl)phenyl]phenyl]-1-(4-nitrophenyl)tetrazole

Names & synonyms

SCHEMBL9679231DXMWDVMMOVRJCT-UHFFFAOYSA-N5-(4'-bromethybiphenyl-2-yl)-1-(4-nitrophenyl)-1H-tetrazol5-(4'-bromethylbiphenyl-2-yl)-1-(4-nitrophenyl)-1H-tetrazol

Database identifiers

PubChem CID
53784464

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
89.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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