4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride

C7H3Cl2F2NO — CID 140772331

IUPAC4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(Cl)c(F)c1F
InChIInChI=1S/C7H3Cl2F2NO/c8-4-2-1-3(7(9)12-13)5(10)6(4)11/h1-2,13H
InChIKeySIXIVMDTGVKYAC-UHFFFAOYSA-N
MW226.01 g/mol
LogP2.99
Rot. Bonds1

About 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride

4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 140772331) has the molecular formula C7H3Cl2F2NO and a molecular weight of 226.01 g/mol. Its IUPAC name is 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID140772331
Molecular FormulaC7H3Cl2F2NO
Molecular Weight226.01 g/mol
Exact Mass224.96
IUPAC Name4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(Cl)c(F)c1F
InChIInChI=1S/C7H3Cl2F2NO/c8-4-2-1-3(7(9)12-13)5(10)6(4)11/h1-2,13H
InChIKeySIXIVMDTGVKYAC-UHFFFAOYSA-N
XLogP2.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride (CID 140772331) is 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride is ON=C(Cl)c1ccc(Cl)c(F)c1F.
What is the InChIKey of 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is SIXIVMDTGVKYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO/c8-4-2-1-3(7(9)12-13)5(10)6(4)11/h1-2,13H.
What are the key properties of 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride?
4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 226.01 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 140772331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).