2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride

C9H5Cl3N2O2 — CID 134876150

IUPAC2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride
SMILESO=C(Cl)/C(Cl)=N/Nc1ccccc1C(=O)Cl
InChIInChI=1S/C9H5Cl3N2O2/c10-7(9(12)16)14-13-6-4-2-1-3-5(6)8(11)15/h1-4,13H/b14-7-
InChIKeyXTJIDCSFEPUPHI-AUWJEWJLSA-N
MW279.51 g/mol
LogP2.80
Rot. Bonds4

About 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride

2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride (PubChem CID 134876150) has the molecular formula C9H5Cl3N2O2 and a molecular weight of 279.51 g/mol. Its IUPAC name is 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride.

Molecular Properties

Compound Name2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride
PubChem CID134876150
Molecular FormulaC9H5Cl3N2O2
Molecular Weight279.51 g/mol
Exact Mass277.94
IUPAC Name2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride
SMILESO=C(Cl)/C(Cl)=N/Nc1ccccc1C(=O)Cl
InChIInChI=1S/C9H5Cl3N2O2/c10-7(9(12)16)14-13-6-4-2-1-3-5(6)8(11)15/h1-4,13H/b14-7-
InChIKeyXTJIDCSFEPUPHI-AUWJEWJLSA-N
XLogP2.80
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetamidobenzoyl chloride
CID 12520814
(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
CID 87583449
tert-butyl (2E)-2-[(2-benzoylphenyl)hydrazinylidene]-2-chloroacetate
CID 134877323
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
2-(naphthalen-1-ylamino)benzoyl chloride
CID 54450707
2-(2-carbonochloridoylanilino)ethyl acetate
CID 87983968
2-fluorobenzoyl chloride
CID 9808
CID 88581432
CID 88581432
methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate
CID 171522886
2-sulfanylbenzoyl chloride;hydrochloride
CID 162321706
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
2-fluorobenzoyl chloride;hydrochloride
CID 172728813

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride?
The IUPAC name of 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride (CID 134876150) is 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride.
What is the SMILES notation for 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride?
The canonical SMILES for 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride is O=C(Cl)/C(Cl)=N/Nc1ccccc1C(=O)Cl.
What is the InChIKey of 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride?
The InChIKey is XTJIDCSFEPUPHI-AUWJEWJLSA-N. The full InChI is InChI=1S/C9H5Cl3N2O2/c10-7(9(12)16)14-13-6-4-2-1-3-5(6)8(11)15/h1-4,13H/b14-7-.
What are the key properties of 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride?
2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride has a molecular weight of 279.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride is sourced from PubChem (CID 134876150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).