3-[amino(methoxy)phosphoryl]benzoyl chloride

C8H9ClNO3P — CID 89422757

IUPAC3-[amino(methoxy)phosphoryl]benzoyl chloride
SMILESCOP(N)(=O)c1cccc(C(=O)Cl)c1
InChIInChI=1S/C8H9ClNO3P/c1-13-14(10,12)7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,10,12)
InChIKeyLYWPHPYDHDHUAX-UHFFFAOYSA-N
MW233.59 g/mol
LogP1.49
Rot. Bonds3

About 3-[amino(methoxy)phosphoryl]benzoyl chloride

3-[amino(methoxy)phosphoryl]benzoyl chloride (PubChem CID 89422757) has the molecular formula C8H9ClNO3P and a molecular weight of 233.59 g/mol. Its IUPAC name is 3-[amino(methoxy)phosphoryl]benzoyl chloride.

Molecular Properties

Compound Name3-[amino(methoxy)phosphoryl]benzoyl chloride
PubChem CID89422757
Molecular FormulaC8H9ClNO3P
Molecular Weight233.59 g/mol
Exact Mass233.00
IUPAC Name3-[amino(methoxy)phosphoryl]benzoyl chloride
SMILESCOP(N)(=O)c1cccc(C(=O)Cl)c1
InChIInChI=1S/C8H9ClNO3P/c1-13-14(10,12)7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,10,12)
InChIKeyLYWPHPYDHDHUAX-UHFFFAOYSA-N
XLogP1.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.59
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(methoxy)phosphoryl]benzoyl chloride?
The IUPAC name of 3-[amino(methoxy)phosphoryl]benzoyl chloride (CID 89422757) is 3-[amino(methoxy)phosphoryl]benzoyl chloride.
What is the SMILES notation for 3-[amino(methoxy)phosphoryl]benzoyl chloride?
The canonical SMILES for 3-[amino(methoxy)phosphoryl]benzoyl chloride is COP(N)(=O)c1cccc(C(=O)Cl)c1.
What is the InChIKey of 3-[amino(methoxy)phosphoryl]benzoyl chloride?
The InChIKey is LYWPHPYDHDHUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClNO3P/c1-13-14(10,12)7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,10,12).
What are the key properties of 3-[amino(methoxy)phosphoryl]benzoyl chloride?
3-[amino(methoxy)phosphoryl]benzoyl chloride has a molecular weight of 233.59 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methoxy)phosphoryl]benzoyl chloride is sourced from PubChem (CID 89422757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).