4-bromoaniline;hydrochloride

C6H7BrClN — CID 12998426

IUPAC4-bromoaniline;hydrochloride
SMILESCl.Nc1ccc(Br)cc1
InChIInChI=1S/C6H6BrN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKeyXOZVXONHRZDFDW-UHFFFAOYSA-N
MW208.49 g/mol
LogP2.45
Rot. Bonds

About 4-bromoaniline;hydrochloride

4-bromoaniline;hydrochloride (PubChem CID 12998426) has the molecular formula C6H7BrClN and a molecular weight of 208.49 g/mol. Its IUPAC name is 4-bromoaniline;hydrochloride.

Molecular Properties

Compound Name4-bromoaniline;hydrochloride
PubChem CID12998426
Molecular FormulaC6H7BrClN
Molecular Weight208.49 g/mol
Exact Mass206.95
IUPAC Name4-bromoaniline;hydrochloride
SMILESCl.Nc1ccc(Br)cc1
InChIInChI=1S/C6H6BrN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKeyXOZVXONHRZDFDW-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Bromoaniline
CID 7807
3-Bromoaniline
CID 11562
2,4,6-Tribromoaniline
CID 8986
4-Bromophenylhydrazine hydrochloride
CID 12157
2-Bromoaniline
CID 11992
2,4-Dibromoaniline
CID 12004
4-Bromophenyl isothiocyanate
CID 16133
2,6-Dibromoaniline
CID 69098
4-Bromophenyl isocyanate
CID 75609
2-Bromo-4-fluoroaniline
CID 242873
4-Bromo-2,6-difluoroaniline
CID 610191
5-Bromo-2-fluoroaniline
CID 2769407

Frequently Asked Questions

What is the IUPAC name of 4-bromoaniline;hydrochloride?
The IUPAC name of 4-bromoaniline;hydrochloride (CID 12998426) is 4-bromoaniline;hydrochloride.
What is the SMILES notation for 4-bromoaniline;hydrochloride?
The canonical SMILES for 4-bromoaniline;hydrochloride is Cl.Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromoaniline;hydrochloride?
The InChIKey is XOZVXONHRZDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H.
What are the key properties of 4-bromoaniline;hydrochloride?
4-bromoaniline;hydrochloride has a molecular weight of 208.49 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromoaniline;hydrochloride is sourced from PubChem (CID 12998426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).