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2-Methyl-5-(4-bromophenyl)tetrazole

HCID 610977
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nnc(-c2ccc(Br)cc2)n1
InChIKey
IOFCGKXMOYLYFO-UHFFFAOYSA-N
Molecular formula
C8H7BrN4
Average molar mass
239.07 g/mol

Names & identifiers

Preferred name
2-Methyl-5-(4-bromophenyl)tetrazole
IUPAC
5-(4-bromophenyl)-2-methyltetrazole

Names & synonyms

2-Methyl-5-(4-bromophenyl)tetrazole69746-36-75-(4-bromophenyl)-2-methyl-2H-tetrazole5-(4-bromophenyl)-2-methyltetrazole5-(4-bromophenyl)-2-methyl-2H-1,2,3,4-tetrazole5-(4-Bromo-phenyl)-2-methyl-2H-tetrazoleSCHEMBL2611131AKOS0242339974-(2-methyl-2H-tetrazol-5yl)phenyl bromide5-(4-Bromophenyl)-2-methyl-2H-tetraazole #4-(2-methyl-2H-tetrazol-5-yl)phenyl bromideAB00991597-01
Show more names
A1-10005Z106017088

Database identifiers

PubChem CID
610977

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
43.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
170

Related reactions

14 records
New reaction record
HRID 99019 reaction equation
HRID 99019As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 102717 reaction equation
HRID 102717As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 149513 reaction equation
HRID 149513As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 323827 reaction equation
HRID 323827As reactantuspto-grants-2001_04
HRID 378511 reaction equation
HRID 378511As reactantuspto-grants-2000_02
HRID 634860 reaction equation
HRID 634860As reactantuspto-grants-2001_02
HRID 861436 reaction equation
HRID 861436As reactantuspto-grants-1998_02
HRID 866076 reaction equation
HRID 866076As reactantuspto-grants-1996_10
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Compound notes

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