(Z)-N-carbonochloridoylbenzenecarboximidoyl chloride

C8H5Cl2NO — CID 10878212

IUPAC(Z)-N-carbonochloridoylbenzenecarboximidoyl chloride
SMILESO=C(Cl)/N=C(\Cl)c1ccccc1
InChIInChI=1S/C8H5Cl2NO/c9-7(11-8(10)12)6-4-2-1-3-5-6/h1-5H/b11-7-
InChIKeyQEZOGZKXUFZFEW-XFFZJAGNSA-N
MW202.04 g/mol
LogP3.03
Rot. Bonds1

About (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride

(Z)-N-carbonochloridoylbenzenecarboximidoyl chloride (PubChem CID 10878212) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(Z)-N-carbonochloridoylbenzenecarboximidoyl chloride
PubChem CID10878212
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name(Z)-N-carbonochloridoylbenzenecarboximidoyl chloride
SMILESO=C(Cl)/N=C(\Cl)c1ccccc1
InChIInChI=1S/C8H5Cl2NO/c9-7(11-8(10)12)6-4-2-1-3-5-6/h1-5H/b11-7-
InChIKeyQEZOGZKXUFZFEW-XFFZJAGNSA-N
XLogP3.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride?
The IUPAC name of (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride (CID 10878212) is (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride.
What is the SMILES notation for (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride?
The canonical SMILES for (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride is O=C(Cl)/N=C(\Cl)c1ccccc1.
What is the InChIKey of (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride?
The InChIKey is QEZOGZKXUFZFEW-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-7(11-8(10)12)6-4-2-1-3-5-6/h1-5H/b11-7-.
What are the key properties of (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride?
(Z)-N-carbonochloridoylbenzenecarboximidoyl chloride has a molecular weight of 202.04 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-carbonochloridoylbenzenecarboximidoyl chloride is sourced from PubChem (CID 10878212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).