(4-bromophenyl)methylazanium

C7H9BrN+ — CID 6951353

IUPAC(4-bromophenyl)methylazanium
SMILES[NH3+]Cc1ccc(Br)cc1
InChIInChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1
InChIKeyXRNVSPDQTPVECU-UHFFFAOYSA-O
MW187.06 g/mol
LogP1.19
Rot. Bonds1

About (4-bromophenyl)methylazanium

(4-bromophenyl)methylazanium (PubChem CID 6951353) has the molecular formula C7H9BrN+ and a molecular weight of 187.06 g/mol. Its IUPAC name is (4-bromophenyl)methylazanium.

Molecular Properties

Compound Name(4-bromophenyl)methylazanium
PubChem CID6951353
Molecular FormulaC7H9BrN+
Molecular Weight187.06 g/mol
Exact Mass185.99
IUPAC Name(4-bromophenyl)methylazanium
SMILES[NH3+]Cc1ccc(Br)cc1
InChIInChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1
InChIKeyXRNVSPDQTPVECU-UHFFFAOYSA-O
XLogP1.19
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.06
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methylazanium?
The IUPAC name of (4-bromophenyl)methylazanium (CID 6951353) is (4-bromophenyl)methylazanium.
What is the SMILES notation for (4-bromophenyl)methylazanium?
The canonical SMILES for (4-bromophenyl)methylazanium is [NH3+]Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methylazanium?
The InChIKey is XRNVSPDQTPVECU-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1.
What are the key properties of (4-bromophenyl)methylazanium?
(4-bromophenyl)methylazanium has a molecular weight of 187.06 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methylazanium is sourced from PubChem (CID 6951353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).