(2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid

C9H8ClNO3 — CID 127046269

IUPAC(2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid
SMILESO=C(O)/C(Cc1ccccc1Cl)=N\O
InChIInChI=1S/C9H8ClNO3/c10-7-4-2-1-3-6(7)5-8(11-14)9(12)13/h1-4,14H,5H2,(H,12,13)/b11-8-
InChIKeyKBVHACSKAHPTIM-FLIBITNWSA-N
MW213.62 g/mol
LogP1.80
Rot. Bonds3

About (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid

(2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid (PubChem CID 127046269) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid.

Molecular Properties

Compound Name(2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid
PubChem CID127046269
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name(2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid
SMILESO=C(O)/C(Cc1ccccc1Cl)=N\O
InChIInChI=1S/C9H8ClNO3/c10-7-4-2-1-3-6(7)5-8(11-14)9(12)13/h1-4,14H,5H2,(H,12,13)/b11-8-
InChIKeyKBVHACSKAHPTIM-FLIBITNWSA-N
XLogP1.80
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.80
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid?
The IUPAC name of (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid (CID 127046269) is (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid.
What is the SMILES notation for (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid?
The canonical SMILES for (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid is O=C(O)/C(Cc1ccccc1Cl)=N\O.
What is the InChIKey of (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid?
The InChIKey is KBVHACSKAHPTIM-FLIBITNWSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-7-4-2-1-3-6(7)5-8(11-14)9(12)13/h1-4,14H,5H2,(H,12,13)/b11-8-.
What are the key properties of (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid?
(2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid has a molecular weight of 213.62 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(2-chlorophenyl)-2-hydroxyiminopropanoic acid is sourced from PubChem (CID 127046269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).