(2-bromophenyl)azanium

C6H7BrN+ — CID 23277840

IUPAC(2-bromophenyl)azanium
SMILES[NH3+]c1ccccc1Br
InChIInChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/p+1
InChIKeyAOPBDRUWRLBSDB-UHFFFAOYSA-O
MW173.03 g/mol
LogP1.32
Rot. Bonds

About (2-bromophenyl)azanium

(2-bromophenyl)azanium (PubChem CID 23277840) has the molecular formula C6H7BrN+ and a molecular weight of 173.03 g/mol. Its IUPAC name is (2-bromophenyl)azanium.

Molecular Properties

Compound Name(2-bromophenyl)azanium
PubChem CID23277840
Molecular FormulaC6H7BrN+
Molecular Weight173.03 g/mol
Exact Mass171.98
IUPAC Name(2-bromophenyl)azanium
SMILES[NH3+]c1ccccc1Br
InChIInChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/p+1
InChIKeyAOPBDRUWRLBSDB-UHFFFAOYSA-O
XLogP1.32
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.03
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)azanium?
The IUPAC name of (2-bromophenyl)azanium (CID 23277840) is (2-bromophenyl)azanium.
What is the SMILES notation for (2-bromophenyl)azanium?
The canonical SMILES for (2-bromophenyl)azanium is [NH3+]c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)azanium?
The InChIKey is AOPBDRUWRLBSDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/p+1.
What are the key properties of (2-bromophenyl)azanium?
(2-bromophenyl)azanium has a molecular weight of 173.03 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)azanium is sourced from PubChem (CID 23277840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).