4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol

C12H10Br2N2O2 — CID 170073513

IUPAC4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol
SMILESNc1cc(Br)ccc1ONc1ccc(O)c(Br)c1
InChIInChI=1S/C12H10Br2N2O2/c13-7-1-4-12(10(15)5-7)18-16-8-2-3-11(17)9(14)6-8/h1-6,16-17H,15H2
InChIKeyFDIYWDROCQKWMT-UHFFFAOYSA-N
MW374.03 g/mol
LogP3.91
Rot. Bonds3

About 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol

4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol (PubChem CID 170073513) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol.

Molecular Properties

Compound Name4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol
PubChem CID170073513
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol
SMILESNc1cc(Br)ccc1ONc1ccc(O)c(Br)c1
InChIInChI=1S/C12H10Br2N2O2/c13-7-1-4-12(10(15)5-7)18-16-8-2-3-11(17)9(14)6-8/h1-6,16-17H,15H2
InChIKeyFDIYWDROCQKWMT-UHFFFAOYSA-N
XLogP3.91
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol?
The IUPAC name of 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol (CID 170073513) is 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol.
What is the SMILES notation for 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol?
The canonical SMILES for 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol is Nc1cc(Br)ccc1ONc1ccc(O)c(Br)c1.
What is the InChIKey of 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol?
The InChIKey is FDIYWDROCQKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c13-7-1-4-12(10(15)5-7)18-16-8-2-3-11(17)9(14)6-8/h1-6,16-17H,15H2.
What are the key properties of 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol?
4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol has a molecular weight of 374.03 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol is sourced from PubChem (CID 170073513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).