[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate

C14H10ClNO3 — CID 880858

IUPAC[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate
SMILESO=C(Oc1ccc(C=NO)cc1)c1ccccc1Cl
InChIInChI=1S/C14H10ClNO3/c15-13-4-2-1-3-12(13)14(17)19-11-7-5-10(6-8-11)9-16-18/h1-9,18H
InChIKeyXSVAHGVGAOSTLN-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.37
Rot. Bonds3

About [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate

[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate (PubChem CID 880858) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate
PubChem CID880858
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate
SMILESO=C(Oc1ccc(C=NO)cc1)c1ccccc1Cl
InChIInChI=1S/C14H10ClNO3/c15-13-4-2-1-3-12(13)14(17)19-11-7-5-10(6-8-11)9-16-18/h1-9,18H
InChIKeyXSVAHGVGAOSTLN-UHFFFAOYSA-N
XLogP3.37
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-hydroxyiminomethyl]phenyl] 2-chlorobenzoate
CID 6897896
(4-methanehydrazonoylphenyl) 2-chlorobenzoate
CID 168530478
[4-(hydroxyiminomethyl)phenyl] benzoate
CID 880956
[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6109937
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 4232501
[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 1117179
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 98298432
[4-[[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 5186669
[4-[(Z)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6000154
[4-[[[amino(benzylsulfanyl)methylidene]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 168612676
[4-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenyl] 2-chlorobenzoate
CID 46502111

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate?
The IUPAC name of [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate (CID 880858) is [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate.
What is the SMILES notation for [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate?
The canonical SMILES for [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate is O=C(Oc1ccc(C=NO)cc1)c1ccccc1Cl.
What is the InChIKey of [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate?
The InChIKey is XSVAHGVGAOSTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-13-4-2-1-3-12(13)14(17)19-11-7-5-10(6-8-11)9-16-18/h1-9,18H.
What are the key properties of [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate?
[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate has a molecular weight of 275.69 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate is sourced from PubChem (CID 880858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).