CID 87274277

C4H13ClNO3P — CID 87274277

IUPAC—
SMILESCCOP(=O)(O)CC.NCl
InChIInChI=1S/C4H11O3P.ClH2N/c1-3-7-8(5,6)4-2;1-2/h3-4H2,1-2H3,(H,5,6);2H2
InChIKeyZEDTXZGXQXELNL-UHFFFAOYSA-N
MW189.58 g/mol
LogP1.33
Rot. Bonds3

About CID 87274277

CID 87274277 (PubChem CID 87274277) has the molecular formula C4H13ClNO3P and a molecular weight of 189.58 g/mol.

Molecular Properties

Compound NameCID 87274277
PubChem CID87274277
Molecular FormulaC4H13ClNO3P
Molecular Weight189.58 g/mol
Exact Mass189.03
IUPAC Name—
SMILESCCOP(=O)(O)CC.NCl
InChIInChI=1S/C4H11O3P.ClH2N/c1-3-7-8(5,6)4-2;1-2/h3-4H2,1-2H3,(H,5,6);2H2
InChIKeyZEDTXZGXQXELNL-UHFFFAOYSA-N
XLogP1.33
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.58
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy(fluoromethyl)phosphinic acid
CID 150160120
[3,5-bis[[ethoxy(hydroxy)phosphoryl]methyl]-2,4,6-trimethylphenyl]methyl-ethoxyphosphinic acid
CID 58708701
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
butoxy(ethyl)phosphinic acid
CID 71353007
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
alumane;ethyl dihydrogen phosphate
CID 173113989
ethyl(hydroperoxy)phosphinic acid
CID 54175112
CID 54611578
CID 54611578

Frequently Asked Questions

What is the IUPAC name of CID 87274277?
The IUPAC name of CID 87274277 (CID 87274277) is not available.
What is the SMILES notation for CID 87274277?
The canonical SMILES for CID 87274277 is CCOP(=O)(O)CC.NCl.
What is the InChIKey of CID 87274277?
The InChIKey is ZEDTXZGXQXELNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P.ClH2N/c1-3-7-8(5,6)4-2;1-2/h3-4H2,1-2H3,(H,5,6);2H2.
What are the key properties of CID 87274277?
CID 87274277 has a molecular weight of 189.58 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87274277 is sourced from PubChem (CID 87274277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).