4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine

C12H14BrClN4 — CID 158945320

IUPAC4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine
SMILESNc1ccc(Br)cc1N.Nc1ccc(Cl)cc1N
InChIInChI=1S/C6H7BrN2.C6H7ClN2/c2*7-4-1-2-5(8)6(9)3-4/h2*1-3H,8-9H2
InChIKeyJKTFEJGSZBVIAY-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.12
Rot. Bonds

About 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine

4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine (PubChem CID 158945320) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine
PubChem CID158945320
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine
SMILESNc1ccc(Br)cc1N.Nc1ccc(Cl)cc1N
InChIInChI=1S/C6H7BrN2.C6H7ClN2/c2*7-4-1-2-5(8)6(9)3-4/h2*1-3H,8-9H2
InChIKeyJKTFEJGSZBVIAY-UHFFFAOYSA-N
XLogP3.12
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine?
The IUPAC name of 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine (CID 158945320) is 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine.
What is the SMILES notation for 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine?
The canonical SMILES for 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine is Nc1ccc(Br)cc1N.Nc1ccc(Cl)cc1N.
What is the InChIKey of 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine?
The InChIKey is JKTFEJGSZBVIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2.C6H7ClN2/c2*7-4-1-2-5(8)6(9)3-4/h2*1-3H,8-9H2.
What are the key properties of 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine?
4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine has a molecular weight of 329.63 g/mol, XLogP of 3.12, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine is sourced from PubChem (CID 158945320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).