(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride

C9H10ClNO3 — CID 106892044

IUPAC(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
SMILESCOc1cccc(/C(Cl)=N/O)c1OC
InChIInChI=1S/C9H10ClNO3/c1-13-7-5-3-4-6(8(7)14-2)9(10)11-12/h3-5,12H,1-2H3/b11-9-
InChIKeyOSUNXCDPHNBUCZ-LUAWRHEFSA-N
MW215.64 g/mol
LogP2.08
Rot. Bonds3

About (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride

(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride (PubChem CID 106892044) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
PubChem CID106892044
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
SMILESCOc1cccc(/C(Cl)=N/O)c1OC
InChIInChI=1S/C9H10ClNO3/c1-13-7-5-3-4-6(8(7)14-2)9(10)11-12/h3-5,12H,1-2H3/b11-9-
InChIKeyOSUNXCDPHNBUCZ-LUAWRHEFSA-N
XLogP2.08
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.08
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'}

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Related Compounds

(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride
CID 106892052
N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine
CID 154085721
(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
CID 106892085
(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride
CID 137028256
2,3-dimethoxybenzamide;hydrate
CID 141005510
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide
CID 61363434
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 76928376

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride (CID 106892044) is (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride is COc1cccc(/C(Cl)=N/O)c1OC.
What is the InChIKey of (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride?
The InChIKey is OSUNXCDPHNBUCZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-7-5-3-4-6(8(7)14-2)9(10)11-12/h3-5,12H,1-2H3/b11-9-.
What are the key properties of (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride?
(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride has a molecular weight of 215.64 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 106892044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).