(1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride

C10H13ClNO2P — CID 144556121

IUPAC(1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride
SMILESCCOP(C)c1ccc(/C(Cl)=N/O)cc1
InChIInChI=1S/C10H13ClNO2P/c1-3-14-15(2)9-6-4-8(5-7-9)10(11)12-13/h4-7,13H,3H2,1-2H3/b12-10-
InChIKeyHDSAWOIQDUGBHW-BENRWUELSA-N
MW245.65 g/mol
LogP2.75
Rot. Bonds4

About (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride

(1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 144556121) has the molecular formula C10H13ClNO2P and a molecular weight of 245.65 g/mol. Its IUPAC name is (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride
PubChem CID144556121
Molecular FormulaC10H13ClNO2P
Molecular Weight245.65 g/mol
Exact Mass245.04
IUPAC Name(1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride
SMILESCCOP(C)c1ccc(/C(Cl)=N/O)cc1
InChIInChI=1S/C10H13ClNO2P/c1-3-14-15(2)9-6-4-8(5-7-9)10(11)12-13/h4-7,13H,3H2,1-2H3/b12-10-
InChIKeyHDSAWOIQDUGBHW-BENRWUELSA-N
XLogP2.75
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.65
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride (CID 144556121) is (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride is CCOP(C)c1ccc(/C(Cl)=N/O)cc1.
What is the InChIKey of (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is HDSAWOIQDUGBHW-BENRWUELSA-N. The full InChI is InChI=1S/C10H13ClNO2P/c1-3-14-15(2)9-6-4-8(5-7-9)10(11)12-13/h4-7,13H,3H2,1-2H3/b12-10-.
What are the key properties of (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride?
(1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 245.65 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 144556121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).