N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride

C9H8BrClN2O — CID 2771519

IUPACN-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
SMILESCC(=O)C(Cl)=NNc1ccc(Br)cc1
InChIInChI=1S/C9H8BrClN2O/c1-6(14)9(11)13-12-8-4-2-7(10)3-5-8/h2-5,12H,1H3
InChIKeyKNZABGDOPMGFMU-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.00
Rot. Bonds3

About N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride

N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride (PubChem CID 2771519) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
PubChem CID2771519
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC NameN-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
SMILESCC(=O)C(Cl)=NNc1ccc(Br)cc1
InChIInChI=1S/C9H8BrClN2O/c1-6(14)9(11)13-12-8-4-2-7(10)3-5-8/h2-5,12H,1H3
InChIKeyKNZABGDOPMGFMU-UHFFFAOYSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride?
The IUPAC name of N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride (CID 2771519) is N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride.
What is the SMILES notation for N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride?
The canonical SMILES for N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride is CC(=O)C(Cl)=NNc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride?
The InChIKey is KNZABGDOPMGFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c1-6(14)9(11)13-12-8-4-2-7(10)3-5-8/h2-5,12H,1H3.
What are the key properties of N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride?
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride has a molecular weight of 275.53 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride is sourced from PubChem (CID 2771519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).