ethyl 2-chloro-4-methanehydrazonoylbenzoate

C10H11ClN2O2 — CID 168530988

IUPACethyl 2-chloro-4-methanehydrazonoylbenzoate
SMILESCCOC(=O)c1ccc(C=NN)cc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-2-15-10(14)8-4-3-7(6-13-12)5-9(8)11/h3-6H,2,12H2,1H3
InChIKeyGSKHZYIUTZRXOR-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.81
Rot. Bonds3

About ethyl 2-chloro-4-methanehydrazonoylbenzoate

ethyl 2-chloro-4-methanehydrazonoylbenzoate (PubChem CID 168530988) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is ethyl 2-chloro-4-methanehydrazonoylbenzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-methanehydrazonoylbenzoate
PubChem CID168530988
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Nameethyl 2-chloro-4-methanehydrazonoylbenzoate
SMILESCCOC(=O)c1ccc(C=NN)cc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-2-15-10(14)8-4-3-7(6-13-12)5-9(8)11/h3-6H,2,12H2,1H3
InChIKeyGSKHZYIUTZRXOR-UHFFFAOYSA-N
XLogP1.81
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

methyl 2-chloro-4-methanehydrazonoylbenzoate
CID 168530914
ethyl 2-chloro-4-(dimethylaminomethylideneamino)benzoate
CID 140840681
(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
CID 168530505
ethyl 2-chloro-4-isocyanatobenzoate
CID 19852548
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
ethyl 2-chloro-4-propoxybenzoate
CID 82551799
ethyl 4-(2-bromoethyl)-2-chlorobenzoate
CID 174282952
ethyl 2-chloro-4-(propylamino)benzoate
CID 154119419
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-methanehydrazonoylbenzoate?
The IUPAC name of ethyl 2-chloro-4-methanehydrazonoylbenzoate (CID 168530988) is ethyl 2-chloro-4-methanehydrazonoylbenzoate.
What is the SMILES notation for ethyl 2-chloro-4-methanehydrazonoylbenzoate?
The canonical SMILES for ethyl 2-chloro-4-methanehydrazonoylbenzoate is CCOC(=O)c1ccc(C=NN)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-methanehydrazonoylbenzoate?
The InChIKey is GSKHZYIUTZRXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-2-15-10(14)8-4-3-7(6-13-12)5-9(8)11/h3-6H,2,12H2,1H3.
What are the key properties of ethyl 2-chloro-4-methanehydrazonoylbenzoate?
ethyl 2-chloro-4-methanehydrazonoylbenzoate has a molecular weight of 226.66 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-methanehydrazonoylbenzoate is sourced from PubChem (CID 168530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).