2-chloro-2-nitrosoacetaldehyde

C2H2ClNO2 — CID 54434065

IUPAC2-chloro-2-nitrosoacetaldehyde
SMILESO=CC(Cl)N=O
InChIInChI=1S/C2H2ClNO2/c3-2(1-5)4-6/h1-2H
InChIKeyWJMWNVKPQHYBHT-UHFFFAOYSA-N
MW107.50 g/mol
LogP0.52
Rot. Bonds2

About 2-chloro-2-nitrosoacetaldehyde

2-chloro-2-nitrosoacetaldehyde (PubChem CID 54434065) has the molecular formula C2H2ClNO2 and a molecular weight of 107.50 g/mol. Its IUPAC name is 2-chloro-2-nitrosoacetaldehyde.

Molecular Properties

Compound Name2-chloro-2-nitrosoacetaldehyde
PubChem CID54434065
Molecular FormulaC2H2ClNO2
Molecular Weight107.50 g/mol
Exact Mass106.98
IUPAC Name2-chloro-2-nitrosoacetaldehyde
SMILESO=CC(Cl)N=O
InChIInChI=1S/C2H2ClNO2/c3-2(1-5)4-6/h1-2H
InChIKeyWJMWNVKPQHYBHT-UHFFFAOYSA-N
XLogP0.52
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,3,4,4-tetrachlorobutanal
CID 173282499
CID 173497678
CID 173497678
chloromethane;2-methylpropanal
CID 145351273
1,3-dichloro-1-nitrosopropane
CID 89269470
5-chloro-6-oxohexanoic acid
CID 87845623
lithium;2-chloro-3-oxobutanal;hydride
CID 173414321
potassium 2-chloro-3-oxopropanoate
CID 87271899
1-chloro-1-nitrosobutane
CID 91441735
2-chloro-2-(diethylamino)acetaldehyde
CID 88821682
2-chloro-3-(3,5-dichlorophenyl)propanal
CID 62395185
nitrosomethanediol
CID 142787686
azane;3,3-dichloropropanal
CID 88605523

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-nitrosoacetaldehyde?
The IUPAC name of 2-chloro-2-nitrosoacetaldehyde (CID 54434065) is 2-chloro-2-nitrosoacetaldehyde.
What is the SMILES notation for 2-chloro-2-nitrosoacetaldehyde?
The canonical SMILES for 2-chloro-2-nitrosoacetaldehyde is O=CC(Cl)N=O.
What is the InChIKey of 2-chloro-2-nitrosoacetaldehyde?
The InChIKey is WJMWNVKPQHYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClNO2/c3-2(1-5)4-6/h1-2H.
What are the key properties of 2-chloro-2-nitrosoacetaldehyde?
2-chloro-2-nitrosoacetaldehyde has a molecular weight of 107.50 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-nitrosoacetaldehyde is sourced from PubChem (CID 54434065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).