2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid

C9H8ClNO3 — CID 139059157

IUPAC2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid
SMILESO=C(O)CO/N=C(\Cl)c1ccccc1
InChIInChI=1S/C9H8ClNO3/c10-9(11-14-6-8(12)13)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)/b11-9-
InChIKeyFLUJNZHVNHMJPM-LUAWRHEFSA-N
MW213.62 g/mol
LogP1.69
Rot. Bonds4

About 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid

2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid (PubChem CID 139059157) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid
PubChem CID139059157
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid
SMILESO=C(O)CO/N=C(\Cl)c1ccccc1
InChIInChI=1S/C9H8ClNO3/c10-9(11-14-6-8(12)13)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)/b11-9-
InChIKeyFLUJNZHVNHMJPM-LUAWRHEFSA-N
XLogP1.69
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride
CID 166903755
2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid
CID 12642600
2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid
CID 154620555
2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid
CID 10783842
2-[(E)-(3-methyl-3-phenylbutan-2-ylidene)amino]oxyacetic acid
CID 167352407
2-[(Z)-1-phenylbutan-2-ylideneamino]oxyacetic acid
CID 79007723
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
CID 77013247
4-oxo-4-phenylbutanethioyl chloride
CID 20539697
2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
CID 107936789

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid?
The IUPAC name of 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid (CID 139059157) is 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid is O=C(O)CO/N=C(\Cl)c1ccccc1.
What is the InChIKey of 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid?
The InChIKey is FLUJNZHVNHMJPM-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-9(11-14-6-8(12)13)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)/b11-9-.
What are the key properties of 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid?
2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid has a molecular weight of 213.62 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid is sourced from PubChem (CID 139059157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).