(1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride

C8H6Cl3NO — CID 117062273

IUPAC(1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride
SMILESCO/N=C(\Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl3NO/c1-13-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3/b12-8-
InChIKeyMKRMJAXXRZBESK-WQLSENKSSA-N
MW238.50 g/mol
LogP3.54
Rot. Bonds2

About (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride

(1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride (PubChem CID 117062273) has the molecular formula C8H6Cl3NO and a molecular weight of 238.50 g/mol. Its IUPAC name is (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride
PubChem CID117062273
Molecular FormulaC8H6Cl3NO
Molecular Weight238.50 g/mol
Exact Mass236.95
IUPAC Name(1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride
SMILESCO/N=C(\Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl3NO/c1-13-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3/b12-8-
InChIKeyMKRMJAXXRZBESK-WQLSENKSSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride (CID 117062273) is (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride is CO/N=C(\Cl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride?
The InChIKey is MKRMJAXXRZBESK-WQLSENKSSA-N. The full InChI is InChI=1S/C8H6Cl3NO/c1-13-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3/b12-8-.
What are the key properties of (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride?
(1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride has a molecular weight of 238.50 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,5-dichloro-N-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 117062273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).