methyl 2-(4-chlorophenyl)-2-diazoacetate

C9H7ClN2O2 — CID 73180807

IUPACmethyl 2-(4-chlorophenyl)-2-diazoacetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)8(12-11)6-2-4-7(10)5-3-6/h2-5H,1H3
InChIKeyURTVRAIDPJOXIY-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-(4-chlorophenyl)-2-diazoacetate

methyl 2-(4-chlorophenyl)-2-diazoacetate (PubChem CID 73180807) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-diazoacetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-diazoacetate
PubChem CID73180807
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namemethyl 2-(4-chlorophenyl)-2-diazoacetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)8(12-11)6-2-4-7(10)5-3-6/h2-5H,1H3
InChIKeyURTVRAIDPJOXIY-UHFFFAOYSA-N
XLogP1.53
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-diazoacetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-diazoacetate (CID 73180807) is methyl 2-(4-chlorophenyl)-2-diazoacetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-diazoacetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-diazoacetate is COC(=O)C(=[N+]=[N-])c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-diazoacetate?
The InChIKey is URTVRAIDPJOXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)8(12-11)6-2-4-7(10)5-3-6/h2-5H,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-diazoacetate?
methyl 2-(4-chlorophenyl)-2-diazoacetate has a molecular weight of 210.62 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-diazoacetate is sourced from PubChem (CID 73180807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).