2-(4-bromo-2-chlorophenoxy)-5-nitroaniline

C12H8BrClN2O3 — CID 62508136

IUPAC2-(4-bromo-2-chlorophenoxy)-5-nitroaniline
SMILESNc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H8BrClN2O3/c13-7-1-3-11(9(14)5-7)19-12-4-2-8(16(17)18)6-10(12)15/h1-6H,15H2
InChIKeyUBWCZSQBVFRHHX-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.39
Rot. Bonds3

About 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline

2-(4-bromo-2-chlorophenoxy)-5-nitroaniline (PubChem CID 62508136) has the molecular formula C12H8BrClN2O3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-5-nitroaniline
PubChem CID62508136
Molecular FormulaC12H8BrClN2O3
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name2-(4-bromo-2-chlorophenoxy)-5-nitroaniline
SMILESNc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H8BrClN2O3/c13-7-1-3-11(9(14)5-7)19-12-4-2-8(16(17)18)6-10(12)15/h1-6H,15H2
InChIKeyUBWCZSQBVFRHHX-UHFFFAOYSA-N
XLogP4.39
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-chlorophenoxy)-2,4-dinitrobenzene
CID 9311080
2-(4-bromo-2-fluorophenoxy)-5-nitroaniline
CID 62508307
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
5-(4-bromo-2-chlorophenoxy)-2-nitroaniline
CID 106751991
5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
CID 114893295
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
2-(4-bromo-3,5-dimethylphenoxy)-5-nitroaniline
CID 107722583
2-bromo-1-(2-chloro-4-nitrophenoxy)-4-methylbenzene
CID 29032684
5-(2-chloro-4-nitrophenoxy)-2-nitroaniline
CID 106752023

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline (CID 62508136) is 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline is Nc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline?
The InChIKey is UBWCZSQBVFRHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O3/c13-7-1-3-11(9(14)5-7)19-12-4-2-8(16(17)18)6-10(12)15/h1-6H,15H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline?
2-(4-bromo-2-chlorophenoxy)-5-nitroaniline has a molecular weight of 343.56 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-5-nitroaniline is sourced from PubChem (CID 62508136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).