(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride

C9H9Cl2NO3 — CID 106892052

IUPAC(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride
SMILESCOc1ccc(/C(Cl)=N/O)c(Cl)c1OC
InChIInChI=1S/C9H9Cl2NO3/c1-14-6-4-3-5(9(11)12-13)7(10)8(6)15-2/h3-4,13H,1-2H3/b12-9-
InChIKeyXNWMJPGFKUOHAX-XFXZXTDPSA-N
MW250.08 g/mol
LogP2.73
Rot. Bonds3

About (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride

(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride (PubChem CID 106892052) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride
PubChem CID106892052
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride
SMILESCOc1ccc(/C(Cl)=N/O)c(Cl)c1OC
InChIInChI=1S/C9H9Cl2NO3/c1-14-6-4-3-5(9(11)12-13)7(10)8(6)15-2/h3-4,13H,1-2H3/b12-9-
InChIKeyXNWMJPGFKUOHAX-XFXZXTDPSA-N
XLogP2.73
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.73
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)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
CID 106892044
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
methyl 4-(2-chloro-3,4-dimethoxyphenyl)-4-oxobutanoate
CID 63631326
2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 82648135
3-chloro-2,4-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772329
(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
CID 106892085
(2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol
CID 63895329
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
2-chloro-3,4-dimethoxybenzenesulfonic acid
CID 140533382
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone
CID 121222968

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride (CID 106892052) is (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride is COc1ccc(/C(Cl)=N/O)c(Cl)c1OC.
What is the InChIKey of (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride?
The InChIKey is XNWMJPGFKUOHAX-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-14-6-4-3-5(9(11)12-13)7(10)8(6)15-2/h3-4,13H,1-2H3/b12-9-.
What are the key properties of (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride?
(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride has a molecular weight of 250.08 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 106892052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).