nitrous acid;tetrachloromethane

CHCl4NO2 — CID 88765701

IUPACnitrous acid;tetrachloromethane
SMILESClC(Cl)(Cl)Cl.O=NO
InChIInChI=1S/CCl4.HNO2/c2-1(3,4)5;2-1-3/h;(H,2,3)
InChIKeyLIAPGCMSFUOZMR-UHFFFAOYSA-N
MW200.84 g/mol
LogP2.69
Rot. Bonds

About nitrous acid;tetrachloromethane

nitrous acid;tetrachloromethane (PubChem CID 88765701) has the molecular formula CHCl4NO2 and a molecular weight of 200.84 g/mol. Its IUPAC name is nitrous acid;tetrachloromethane.

Molecular Properties

Compound Namenitrous acid;tetrachloromethane
PubChem CID88765701
Molecular FormulaCHCl4NO2
Molecular Weight200.84 g/mol
Exact Mass198.88
IUPAC Namenitrous acid;tetrachloromethane
SMILESClC(Cl)(Cl)Cl.O=NO
InChIInChI=1S/CCl4.HNO2/c2-1(3,4)5;2-1-3/h;(H,2,3)
InChIKeyLIAPGCMSFUOZMR-UHFFFAOYSA-N
XLogP2.69
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.84
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze nitrous acid;tetrachloromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nitrous acid;1,1,1-trichloroethane
CID 174484765
dichlorophosphane;nitrous acid
CID 174611728
CID 173410988
CID 173410988
nickel;nitrous acid
CID 173223682
CID 156592461
CID 156592461
azane;nitrous acid
CID 172699271
nitrous acid iodide
CID 25199991
nitrous acid;bis(oxygen(2-));titanium(4+)
CID 158829832
pentasodium;hydride;nitrous acid
CID 173338442
tripotassium;iridium(3+);nitrous acid
CID 170844348
CID 173151523
CID 173151523
sodium;nitrous acid;hydroxide
CID 174860307

Frequently Asked Questions

What is the IUPAC name of nitrous acid;tetrachloromethane?
The IUPAC name of nitrous acid;tetrachloromethane (CID 88765701) is nitrous acid;tetrachloromethane.
What is the SMILES notation for nitrous acid;tetrachloromethane?
The canonical SMILES for nitrous acid;tetrachloromethane is ClC(Cl)(Cl)Cl.O=NO.
What is the InChIKey of nitrous acid;tetrachloromethane?
The InChIKey is LIAPGCMSFUOZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl4.HNO2/c2-1(3,4)5;2-1-3/h;(H,2,3).
What are the key properties of nitrous acid;tetrachloromethane?
nitrous acid;tetrachloromethane has a molecular weight of 200.84 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;tetrachloromethane is sourced from PubChem (CID 88765701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).