(3-carbonochloridoylbenzoyl)chloranium

C8H5Cl2O2+ — CID 148573269

IUPAC(3-carbonochloridoylbenzoyl)chloranium
SMILESO=C(Cl)c1cccc(C(=O)[ClH+])c1
InChIInChI=1S/C8H5Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4,9H/q+1
InChIKeyMXHHECRLBCJWNS-UHFFFAOYSA-N
MW204.03 g/mol
LogP1.49
Rot. Bonds2

About (3-carbonochloridoylbenzoyl)chloranium

(3-carbonochloridoylbenzoyl)chloranium (PubChem CID 148573269) has the molecular formula C8H5Cl2O2+ and a molecular weight of 204.03 g/mol. Its IUPAC name is (3-carbonochloridoylbenzoyl)chloranium.

Molecular Properties

Compound Name(3-carbonochloridoylbenzoyl)chloranium
PubChem CID148573269
Molecular FormulaC8H5Cl2O2+
Molecular Weight204.03 g/mol
Exact Mass202.97
IUPAC Name(3-carbonochloridoylbenzoyl)chloranium
SMILESO=C(Cl)c1cccc(C(=O)[ClH+])c1
InChIInChI=1S/C8H5Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4,9H/q+1
InChIKeyMXHHECRLBCJWNS-UHFFFAOYSA-N
XLogP1.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-carbonochloridoylbenzoyl)chloranium?
The IUPAC name of (3-carbonochloridoylbenzoyl)chloranium (CID 148573269) is (3-carbonochloridoylbenzoyl)chloranium.
What is the SMILES notation for (3-carbonochloridoylbenzoyl)chloranium?
The canonical SMILES for (3-carbonochloridoylbenzoyl)chloranium is O=C(Cl)c1cccc(C(=O)[ClH+])c1.
What is the InChIKey of (3-carbonochloridoylbenzoyl)chloranium?
The InChIKey is MXHHECRLBCJWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4,9H/q+1.
What are the key properties of (3-carbonochloridoylbenzoyl)chloranium?
(3-carbonochloridoylbenzoyl)chloranium has a molecular weight of 204.03 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbonochloridoylbenzoyl)chloranium is sourced from PubChem (CID 148573269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).