1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium

C9H8ClN2O2+ — CID 175456753

IUPAC1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium
SMILESCOC(=O)C([N+]#N)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN2O2/c1-14-9(13)8(12-11)6-3-2-4-7(10)5-6/h2-5,8H,1H3/q+1
InChIKeyJVZDHCCWSRLCBY-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.41
Rot. Bonds2

About 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium

1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium (PubChem CID 175456753) has the molecular formula C9H8ClN2O2+ and a molecular weight of 211.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium
PubChem CID175456753
Molecular FormulaC9H8ClN2O2+
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium
SMILESCOC(=O)C([N+]#N)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN2O2/c1-14-9(13)8(12-11)6-3-2-4-7(10)5-6/h2-5,8H,1H3/q+1
InChIKeyJVZDHCCWSRLCBY-UHFFFAOYSA-N
XLogP2.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium
CID 86617424
methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate
CID 141114689
1-(3-chlorophenyl)ethyl carbamate
CID 121415275
methyl 3-(azepan-1-yl)-2-(3-chlorophenyl)propanoate
CID 117243277
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate
CID 71541213
methyl (2R)-2-[(2-chloroacetyl)-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647175
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
methyl 2-[(S)-(3-chlorophenyl)-fluoromethyl]prop-2-enoate
CID 125474605
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium?
The IUPAC name of 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium (CID 175456753) is 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium?
The canonical SMILES for 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium is COC(=O)C([N+]#N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium?
The InChIKey is JVZDHCCWSRLCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN2O2/c1-14-9(13)8(12-11)6-3-2-4-7(10)5-6/h2-5,8H,1H3/q+1.
What are the key properties of 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium?
1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium has a molecular weight of 211.63 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium is sourced from PubChem (CID 175456753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).