chloromethoxy nitrate

CH2ClNO4 — CID 55302221

IUPACchloromethoxy nitrate
SMILESO=[N+]([O-])OOCCl
InChIInChI=1S/CH2ClNO4/c2-1-6-7-3(4)5/h1H2
InChIKeyHMRIQLSIHPLVPP-UHFFFAOYSA-N
MW127.48 g/mol
LogP0.32
Rot. Bonds3

About chloromethoxy nitrate

chloromethoxy nitrate (PubChem CID 55302221) has the molecular formula CH2ClNO4 and a molecular weight of 127.48 g/mol. Its IUPAC name is chloromethoxy nitrate.

Molecular Properties

Compound Namechloromethoxy nitrate
PubChem CID55302221
Molecular FormulaCH2ClNO4
Molecular Weight127.48 g/mol
Exact Mass126.97
IUPAC Namechloromethoxy nitrate
SMILESO=[N+]([O-])OOCCl
InChIInChI=1S/CH2ClNO4/c2-1-6-7-3(4)5/h1H2
InChIKeyHMRIQLSIHPLVPP-UHFFFAOYSA-N
XLogP0.32
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.48
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloromethoxy nitrate 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

nitro 2-chloroethaneperoxoate
CID 55298204
1-chloro-3-(3-chloropropoxy)propane;nitric acid
CID 172696075
pentylperoxy nitrate
CID 175207218
trichloromethoxy nitrate
CID 13380264
chloro nitrate
CID 174442535
3-(chloromethoxy)-1,1-dinitropropane
CID 57257296
chloro nitrate;stibane
CID 174852416
[dichloro(fluoro)methoxy] nitrate
CID 522385
beryllium dinitrate
CID 26126
copper;ethyl nitrate
CID 146280081
alumane;chloro nitrate;hydrate
CID 174985716
nitric acid;ruthenium;dinitrate
CID 173436166

Frequently Asked Questions

What is the IUPAC name of chloromethoxy nitrate?
The IUPAC name of chloromethoxy nitrate (CID 55302221) is chloromethoxy nitrate.
What is the SMILES notation for chloromethoxy nitrate?
The canonical SMILES for chloromethoxy nitrate is O=[N+]([O-])OOCCl.
What is the InChIKey of chloromethoxy nitrate?
The InChIKey is HMRIQLSIHPLVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClNO4/c2-1-6-7-3(4)5/h1H2.
What are the key properties of chloromethoxy nitrate?
chloromethoxy nitrate has a molecular weight of 127.48 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethoxy nitrate is sourced from PubChem (CID 55302221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).