1-(2-bromo-3-chlorophenyl)tetrazole

C7H4BrClN4 — CID 103480298

IUPAC1-(2-bromo-3-chlorophenyl)tetrazole
SMILESClc1cccc(-n2cnnn2)c1Br
InChIInChI=1S/C7H4BrClN4/c8-7-5(9)2-1-3-6(7)13-4-10-11-12-13/h1-4H
InChIKeyGRVUUZRBIDDPCY-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.08
Rot. Bonds1

About 1-(2-bromo-3-chlorophenyl)tetrazole

1-(2-bromo-3-chlorophenyl)tetrazole (PubChem CID 103480298) has the molecular formula C7H4BrClN4 and a molecular weight of 259.49 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)tetrazole.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)tetrazole
PubChem CID103480298
Molecular FormulaC7H4BrClN4
Molecular Weight259.49 g/mol
Exact Mass257.93
IUPAC Name1-(2-bromo-3-chlorophenyl)tetrazole
SMILESClc1cccc(-n2cnnn2)c1Br
InChIInChI=1S/C7H4BrClN4/c8-7-5(9)2-1-3-6(7)13-4-10-11-12-13/h1-4H
InChIKeyGRVUUZRBIDDPCY-UHFFFAOYSA-N
XLogP2.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)tetrazole?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)tetrazole (CID 103480298) is 1-(2-bromo-3-chlorophenyl)tetrazole.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)tetrazole?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)tetrazole is Clc1cccc(-n2cnnn2)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)tetrazole?
The InChIKey is GRVUUZRBIDDPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN4/c8-7-5(9)2-1-3-6(7)13-4-10-11-12-13/h1-4H.
What are the key properties of 1-(2-bromo-3-chlorophenyl)tetrazole?
1-(2-bromo-3-chlorophenyl)tetrazole has a molecular weight of 259.49 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)tetrazole is sourced from PubChem (CID 103480298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).