2-chlorobenzoyl chloride;iron;1,2-xylene

C15H14Cl2FeO — CID 174484183

IUPAC2-chlorobenzoyl chloride;iron;1,2-xylene
SMILESCc1ccccc1C.O=C(Cl)c1ccccc1Cl.[Fe]
InChIInChI=1S/C8H10.C7H4Cl2O.Fe/c1-7-5-3-4-6-8(7)2;8-6-4-2-1-3-5(6)7(9)10;/h3-6H,1-2H3;1-4H;
InChIKeyTVWAGHXMFRXXQQ-UHFFFAOYSA-N
MW337.03 g/mol
LogP5.02
Rot. Bonds1

About 2-chlorobenzoyl chloride;iron;1,2-xylene

2-chlorobenzoyl chloride;iron;1,2-xylene (PubChem CID 174484183) has the molecular formula C15H14Cl2FeO and a molecular weight of 337.03 g/mol. Its IUPAC name is 2-chlorobenzoyl chloride;iron;1,2-xylene.

Molecular Properties

Compound Name2-chlorobenzoyl chloride;iron;1,2-xylene
PubChem CID174484183
Molecular FormulaC15H14Cl2FeO
Molecular Weight337.03 g/mol
Exact Mass335.98
IUPAC Name2-chlorobenzoyl chloride;iron;1,2-xylene
SMILESCc1ccccc1C.O=C(Cl)c1ccccc1Cl.[Fe]
InChIInChI=1S/C8H10.C7H4Cl2O.Fe/c1-7-5-3-4-6-8(7)2;8-6-4-2-1-3-5(6)7(9)10;/h3-6H,1-2H3;1-4H;
InChIKeyTVWAGHXMFRXXQQ-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.03
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzoyl chloride;iron;1,2-xylene?
The IUPAC name of 2-chlorobenzoyl chloride;iron;1,2-xylene (CID 174484183) is 2-chlorobenzoyl chloride;iron;1,2-xylene.
What is the SMILES notation for 2-chlorobenzoyl chloride;iron;1,2-xylene?
The canonical SMILES for 2-chlorobenzoyl chloride;iron;1,2-xylene is Cc1ccccc1C.O=C(Cl)c1ccccc1Cl.[Fe].
What is the InChIKey of 2-chlorobenzoyl chloride;iron;1,2-xylene?
The InChIKey is TVWAGHXMFRXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H4Cl2O.Fe/c1-7-5-3-4-6-8(7)2;8-6-4-2-1-3-5(6)7(9)10;/h3-6H,1-2H3;1-4H;.
What are the key properties of 2-chlorobenzoyl chloride;iron;1,2-xylene?
2-chlorobenzoyl chloride;iron;1,2-xylene has a molecular weight of 337.03 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzoyl chloride;iron;1,2-xylene is sourced from PubChem (CID 174484183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).