4-bromoaniline;hydrobromide

C6H7Br2N — CID 67861244

IUPAC4-bromoaniline;hydrobromide
SMILESBr.Nc1ccc(Br)cc1
InChIInChI=1S/C6H6BrN.BrH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKeyRVAONSPSAAMUMY-UHFFFAOYSA-N
MW252.94 g/mol
LogP2.61
Rot. Bonds

About 4-bromoaniline;hydrobromide

4-bromoaniline;hydrobromide (PubChem CID 67861244) has the molecular formula C6H7Br2N and a molecular weight of 252.94 g/mol. Its IUPAC name is 4-bromoaniline;hydrobromide.

Molecular Properties

Compound Name4-bromoaniline;hydrobromide
PubChem CID67861244
Molecular FormulaC6H7Br2N
Molecular Weight252.94 g/mol
Exact Mass250.89
IUPAC Name4-bromoaniline;hydrobromide
SMILESBr.Nc1ccc(Br)cc1
InChIInChI=1S/C6H6BrN.BrH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKeyRVAONSPSAAMUMY-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.94
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromoaniline;hydrobromide?
The IUPAC name of 4-bromoaniline;hydrobromide (CID 67861244) is 4-bromoaniline;hydrobromide.
What is the SMILES notation for 4-bromoaniline;hydrobromide?
The canonical SMILES for 4-bromoaniline;hydrobromide is Br.Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromoaniline;hydrobromide?
The InChIKey is RVAONSPSAAMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.BrH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H.
What are the key properties of 4-bromoaniline;hydrobromide?
4-bromoaniline;hydrobromide has a molecular weight of 252.94 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromoaniline;hydrobromide is sourced from PubChem (CID 67861244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).