methyl 2-chloro-4-methanehydrazonoylbenzoate

C9H9ClN2O2 — CID 168530914

IUPACmethyl 2-chloro-4-methanehydrazonoylbenzoate
SMILESCOC(=O)c1ccc(C=NN)cc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)7-3-2-6(5-12-11)4-8(7)10/h2-5H,11H2,1H3
InChIKeyBEGIMRKHTXENBX-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.42
Rot. Bonds2

About methyl 2-chloro-4-methanehydrazonoylbenzoate

methyl 2-chloro-4-methanehydrazonoylbenzoate (PubChem CID 168530914) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is methyl 2-chloro-4-methanehydrazonoylbenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-methanehydrazonoylbenzoate
PubChem CID168530914
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Namemethyl 2-chloro-4-methanehydrazonoylbenzoate
SMILESCOC(=O)c1ccc(C=NN)cc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)7-3-2-6(5-12-11)4-8(7)10/h2-5H,11H2,1H3
InChIKeyBEGIMRKHTXENBX-UHFFFAOYSA-N
XLogP1.42
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.42
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

ethyl 2-chloro-4-methanehydrazonoylbenzoate
CID 168530988
methyl 4-(3-aminoprop-1-enyl)-2-chlorobenzoate
CID 169464022
methyl 2-chloro-5-(hydroxyiminomethyl)benzoate
CID 118418732
(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
CID 168530505
methyl 2-chloro-4-(3-sulfanylprop-1-enyl)benzoate
CID 169455681
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317
(4-methanehydrazonoylphenyl) 2-chlorobenzoate
CID 168530478
(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 4-carbamoyl-3-chlorobenzoate
CID 171338558
methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate
CID 71365484

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-methanehydrazonoylbenzoate?
The IUPAC name of methyl 2-chloro-4-methanehydrazonoylbenzoate (CID 168530914) is methyl 2-chloro-4-methanehydrazonoylbenzoate.
What is the SMILES notation for methyl 2-chloro-4-methanehydrazonoylbenzoate?
The canonical SMILES for methyl 2-chloro-4-methanehydrazonoylbenzoate is COC(=O)c1ccc(C=NN)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-methanehydrazonoylbenzoate?
The InChIKey is BEGIMRKHTXENBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)7-3-2-6(5-12-11)4-8(7)10/h2-5H,11H2,1H3.
What are the key properties of methyl 2-chloro-4-methanehydrazonoylbenzoate?
methyl 2-chloro-4-methanehydrazonoylbenzoate has a molecular weight of 212.64 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-methanehydrazonoylbenzoate is sourced from PubChem (CID 168530914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).