3,5-dinitrobenzoyl chloride

C7H3ClN2O5 — CID 7432

IUPAC3,5-dinitrobenzoyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H
InChIKeyNNOHXABAQAGKRZ-UHFFFAOYSA-N
MW230.56 g/mol
LogP1.88
Rot. Bonds3

About 3,5-dinitrobenzoyl chloride

3,5-dinitrobenzoyl chloride (PubChem CID 7432) has the molecular formula C7H3ClN2O5 and a molecular weight of 230.56 g/mol. Its IUPAC name is 3,5-dinitrobenzoyl chloride.

Molecular Properties

Compound Name3,5-dinitrobenzoyl chloride
PubChem CID7432
Molecular FormulaC7H3ClN2O5
Molecular Weight230.56 g/mol
Exact Mass229.97
IUPAC Name3,5-dinitrobenzoyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H
InChIKeyNNOHXABAQAGKRZ-UHFFFAOYSA-N
XLogP1.88
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.56
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 3,5-dinitrobenzoyl chloride?
The IUPAC name of 3,5-dinitrobenzoyl chloride (CID 7432) is 3,5-dinitrobenzoyl chloride.
What is the SMILES notation for 3,5-dinitrobenzoyl chloride?
The canonical SMILES for 3,5-dinitrobenzoyl chloride is O=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitrobenzoyl chloride?
The InChIKey is NNOHXABAQAGKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H.
What are the key properties of 3,5-dinitrobenzoyl chloride?
3,5-dinitrobenzoyl chloride has a molecular weight of 230.56 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitrobenzoyl chloride is sourced from PubChem (CID 7432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).