5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium

C13H8BrF2N2O+ — CID 57419066

IUPAC5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium
SMILESCc1cc(Oc2ccc(F)cc2F)c(Br)cc1[N+]#N
InChIInChI=1S/C13H8BrF2N2O/c1-7-4-13(9(14)6-11(7)18-17)19-12-3-2-8(15)5-10(12)16/h2-6H,1H3/q+1
InChIKeyAECKJPJWUNKIFW-UHFFFAOYSA-N
MW326.12 g/mol
LogP5.31
Rot. Bonds2

About 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium

5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium (PubChem CID 57419066) has the molecular formula C13H8BrF2N2O+ and a molecular weight of 326.12 g/mol. Its IUPAC name is 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium.

Molecular Properties

Compound Name5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium
PubChem CID57419066
Molecular FormulaC13H8BrF2N2O+
Molecular Weight326.12 g/mol
Exact Mass324.98
IUPAC Name5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium
SMILESCc1cc(Oc2ccc(F)cc2F)c(Br)cc1[N+]#N
InChIInChI=1S/C13H8BrF2N2O/c1-7-4-13(9(14)6-11(7)18-17)19-12-3-2-8(15)5-10(12)16/h2-6H,1H3/q+1
InChIKeyAECKJPJWUNKIFW-UHFFFAOYSA-N
XLogP5.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.12
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium?
The IUPAC name of 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium (CID 57419066) is 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium.
What is the SMILES notation for 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium?
The canonical SMILES for 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium is Cc1cc(Oc2ccc(F)cc2F)c(Br)cc1[N+]#N.
What is the InChIKey of 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium?
The InChIKey is AECKJPJWUNKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N2O/c1-7-4-13(9(14)6-11(7)18-17)19-12-3-2-8(15)5-10(12)16/h2-6H,1H3/q+1.
What are the key properties of 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium?
5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium has a molecular weight of 326.12 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,4-difluorophenoxy)-2-methylbenzenediazonium is sourced from PubChem (CID 57419066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).