4-chloro-3,5-dinitrobenzoyl chloride

C7H2Cl2N2O5 — CID 23451564

IUPAC4-chloro-3,5-dinitrobenzoyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H2Cl2N2O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H
InChIKeyXJECLNKDUIATFG-UHFFFAOYSA-N
MW265.01 g/mol
LogP2.54
Rot. Bonds3

About 4-chloro-3,5-dinitrobenzoyl chloride

4-chloro-3,5-dinitrobenzoyl chloride (PubChem CID 23451564) has the molecular formula C7H2Cl2N2O5 and a molecular weight of 265.01 g/mol. Its IUPAC name is 4-chloro-3,5-dinitrobenzoyl chloride.

Molecular Properties

Compound Name4-chloro-3,5-dinitrobenzoyl chloride
PubChem CID23451564
Molecular FormulaC7H2Cl2N2O5
Molecular Weight265.01 g/mol
Exact Mass263.93
IUPAC Name4-chloro-3,5-dinitrobenzoyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H2Cl2N2O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H
InChIKeyXJECLNKDUIATFG-UHFFFAOYSA-N
XLogP2.54
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.01
LogP ≤ 52.54
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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Related Compounds

4,8-dinitronaphthalene-2,6-dicarbonyl chloride
CID 10688710
4-chloro-N-hydroxy-3,5-dinitrobenzamide
CID 71370589
4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
CID 176693426
4-chloro-3,5-dinitro-N-propan-2-ylbenzamide
CID 4628263
4-chloro-N-(2-hydroxyethyl)-3,5-dinitrobenzamide
CID 10517565
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
N,N-di(butan-2-yl)-4-chloro-3,5-dinitrobenzamide
CID 4089041
2-methylpropyl 4-chloro-3,5-dinitrobenzoate
CID 3479605
3,4-dichloro-N-methyl-5-nitrobenzamide
CID 43215307
4-chloro-3-nitro-5-(trifluoromethyl)benzoic acid
CID 22137841
benzene;2-chloro-1,3,5-trinitrobenzene
CID 160949015
methyl 4-[(4-chloro-3,5-dinitrobenzoyl)amino]benzoate
CID 4633777

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dinitrobenzoyl chloride?
The IUPAC name of 4-chloro-3,5-dinitrobenzoyl chloride (CID 23451564) is 4-chloro-3,5-dinitrobenzoyl chloride.
What is the SMILES notation for 4-chloro-3,5-dinitrobenzoyl chloride?
The canonical SMILES for 4-chloro-3,5-dinitrobenzoyl chloride is O=C(Cl)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3,5-dinitrobenzoyl chloride?
The InChIKey is XJECLNKDUIATFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N2O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H.
What are the key properties of 4-chloro-3,5-dinitrobenzoyl chloride?
4-chloro-3,5-dinitrobenzoyl chloride has a molecular weight of 265.01 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dinitrobenzoyl chloride is sourced from PubChem (CID 23451564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).