2-(2-chlorophenyl)-2-diazoacetic acid

C8H5ClN2O2 — CID 164992467

IUPAC2-(2-chlorophenyl)-2-diazoacetic acid
SMILES[N-]=[N+]=C(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C8H5ClN2O2/c9-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4H,(H,12,13)
InChIKeyHBARMDXUUHSKLL-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.44
Rot. Bonds2

About 2-(2-chlorophenyl)-2-diazoacetic acid

2-(2-chlorophenyl)-2-diazoacetic acid (PubChem CID 164992467) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-diazoacetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-diazoacetic acid
PubChem CID164992467
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name2-(2-chlorophenyl)-2-diazoacetic acid
SMILES[N-]=[N+]=C(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C8H5ClN2O2/c9-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4H,(H,12,13)
InChIKeyHBARMDXUUHSKLL-UHFFFAOYSA-N
XLogP1.44
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

phthalic acid azide
CID 70600038
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
(Z)-4-amino-2-(2-chlorophenyl)-4-oxobut-2-enoic acid
CID 160713890
2-aminoethanol;2-chlorobenzoic acid
CID 86075909
(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid
CID 126623021
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
2,2,2-tribromoethyl 2-chlorobenzoate
CID 134101353
carbonic acid;2-chlorophenol
CID 163958261
2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-diazoacetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-diazoacetic acid (CID 164992467) is 2-(2-chlorophenyl)-2-diazoacetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-diazoacetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-diazoacetic acid is [N-]=[N+]=C(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-diazoacetic acid?
The InChIKey is HBARMDXUUHSKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4H,(H,12,13).
What are the key properties of 2-(2-chlorophenyl)-2-diazoacetic acid?
2-(2-chlorophenyl)-2-diazoacetic acid has a molecular weight of 196.59 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-diazoacetic acid is sourced from PubChem (CID 164992467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).