acetic acid;N-hydroxybenzenecarboximidoyl chloride

C9H10ClNO3 — CID 158315171

IUPACacetic acid;N-hydroxybenzenecarboximidoyl chloride
SMILESCC(=O)O.ON=C(Cl)c1ccccc1
InChIInChI=1S/C7H6ClNO.C2H4O2/c8-7(9-10)6-4-2-1-3-5-6;1-2(3)4/h1-5,10H;1H3,(H,3,4)
InChIKeyGOEGVRFMXQDQOK-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.15
Rot. Bonds1

About acetic acid;N-hydroxybenzenecarboximidoyl chloride

acetic acid;N-hydroxybenzenecarboximidoyl chloride (PubChem CID 158315171) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is acetic acid;N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Nameacetic acid;N-hydroxybenzenecarboximidoyl chloride
PubChem CID158315171
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Nameacetic acid;N-hydroxybenzenecarboximidoyl chloride
SMILESCC(=O)O.ON=C(Cl)c1ccccc1
InChIInChI=1S/C7H6ClNO.C2H4O2/c8-7(9-10)6-4-2-1-3-5-6;1-2(3)4/h1-5,10H;1H3,(H,3,4)
InChIKeyGOEGVRFMXQDQOK-UHFFFAOYSA-N
XLogP2.15
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.15
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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Related Compounds

(1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride
CID 16641018
acetic acid;2-hydroxyimino-2-phenylethanol
CID 57373390
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
acetic acid;1-phenylethanone
CID 159392478
(NZ)-N-benzylidenehydroxylamine;tert-butyl hypochlorite;(E)-N-hydroxybenzenecarboximidoyl chloride;methane
CID 172952915
methyl 3-[(E)-C-chloro-N-hydroxycarbonimidoyl]benzoate
CID 87739837
acetic acid;diphenylmethanone;hydrate
CID 161284686
acetyl chloride;benzamide
CID 160666659
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
potassium 1-phenylethanone
CID 19980201
lithium 1-phenylethanone
CID 22269591

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of acetic acid;N-hydroxybenzenecarboximidoyl chloride (CID 158315171) is acetic acid;N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for acetic acid;N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for acetic acid;N-hydroxybenzenecarboximidoyl chloride is CC(=O)O.ON=C(Cl)c1ccccc1.
What is the InChIKey of acetic acid;N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is GOEGVRFMXQDQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO.C2H4O2/c8-7(9-10)6-4-2-1-3-5-6;1-2(3)4/h1-5,10H;1H3,(H,3,4).
What are the key properties of acetic acid;N-hydroxybenzenecarboximidoyl chloride?
acetic acid;N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 215.64 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 158315171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).