2-(2-bromophenyl)-4-chloroaniline

C12H9BrClN — CID 115503545

IUPAC2-(2-bromophenyl)-4-chloroaniline
SMILESNc1ccc(Cl)cc1-c1ccccc1Br
InChIInChI=1S/C12H9BrClN/c13-11-4-2-1-3-9(11)10-7-8(14)5-6-12(10)15/h1-7H,15H2
InChIKeyLHUSJHASMFVNQI-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.35
Rot. Bonds1

About 2-(2-bromophenyl)-4-chloroaniline

2-(2-bromophenyl)-4-chloroaniline (PubChem CID 115503545) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-chloroaniline.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-chloroaniline
PubChem CID115503545
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC Name2-(2-bromophenyl)-4-chloroaniline
SMILESNc1ccc(Cl)cc1-c1ccccc1Br
InChIInChI=1S/C12H9BrClN/c13-11-4-2-1-3-9(11)10-7-8(14)5-6-12(10)15/h1-7H,15H2
InChIKeyLHUSJHASMFVNQI-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.35
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

2-(1-bromoanthracen-9-yl)-4-chloroaniline
CID 142720472
4-chloro-2-(4-fluoronaphthalen-1-yl)aniline
CID 81274759
4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
4-(2-bromophenyl)-3-chloroaniline
CID 107615953
2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
2-(2-bromophenyl)sulfanyl-4-chloroaniline
CID 115469523
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413
5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine
CID 15079733
2-anthracen-9-yl-4-chloroaniline
CID 167281672
4-chloro-2-naphthalen-2-ylaniline
CID 81275231
4-chloro-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 81275413

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-chloroaniline?
The IUPAC name of 2-(2-bromophenyl)-4-chloroaniline (CID 115503545) is 2-(2-bromophenyl)-4-chloroaniline.
What is the SMILES notation for 2-(2-bromophenyl)-4-chloroaniline?
The canonical SMILES for 2-(2-bromophenyl)-4-chloroaniline is Nc1ccc(Cl)cc1-c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-chloroaniline?
The InChIKey is LHUSJHASMFVNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c13-11-4-2-1-3-9(11)10-7-8(14)5-6-12(10)15/h1-7H,15H2.
What are the key properties of 2-(2-bromophenyl)-4-chloroaniline?
2-(2-bromophenyl)-4-chloroaniline has a molecular weight of 282.57 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-chloroaniline is sourced from PubChem (CID 115503545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).