methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate

C9H8BrClN2O2 — CID 14203181

IUPACmethyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate
SMILESCOC(=O)/C(Cl)=N/Nc1ccc(Br)cc1
InChIInChI=1S/C9H8BrClN2O2/c1-15-9(14)8(11)13-12-7-4-2-6(10)3-5-7/h2-5,12H,1H3/b13-8-
InChIKeySOKMINLPGKEBMH-JYRVWZFOSA-N
MW291.53 g/mol
LogP2.59
Rot. Bonds3

About methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate

methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate (PubChem CID 14203181) has the molecular formula C9H8BrClN2O2 and a molecular weight of 291.53 g/mol. Its IUPAC name is methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate
PubChem CID14203181
Molecular FormulaC9H8BrClN2O2
Molecular Weight291.53 g/mol
Exact Mass289.95
IUPAC Namemethyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate
SMILESCOC(=O)/C(Cl)=N/Nc1ccc(Br)cc1
InChIInChI=1S/C9H8BrClN2O2/c1-15-9(14)8(11)13-12-7-4-2-6(10)3-5-7/h2-5,12H,1H3/b13-8-
InChIKeySOKMINLPGKEBMH-JYRVWZFOSA-N
XLogP2.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate?
The IUPAC name of methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate (CID 14203181) is methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate.
What is the SMILES notation for methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate?
The canonical SMILES for methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate is COC(=O)/C(Cl)=N/Nc1ccc(Br)cc1.
What is the InChIKey of methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate?
The InChIKey is SOKMINLPGKEBMH-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H8BrClN2O2/c1-15-9(14)8(11)13-12-7-4-2-6(10)3-5-7/h2-5,12H,1H3/b13-8-.
What are the key properties of methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate?
methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate has a molecular weight of 291.53 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate is sourced from PubChem (CID 14203181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).