4-chloro-3-(trichloromethoxy)benzaldehyde

C8H4Cl4O2 — CID 173442881

IUPAC4-chloro-3-(trichloromethoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)c(OC(Cl)(Cl)Cl)c1
InChIInChI=1S/C8H4Cl4O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-4H
InChIKeyCQJAESRQBKQKNQ-UHFFFAOYSA-N
MW273.93 g/mol
LogP3.86
Rot. Bonds2

About 4-chloro-3-(trichloromethoxy)benzaldehyde

4-chloro-3-(trichloromethoxy)benzaldehyde (PubChem CID 173442881) has the molecular formula C8H4Cl4O2 and a molecular weight of 273.93 g/mol. Its IUPAC name is 4-chloro-3-(trichloromethoxy)benzaldehyde.

Molecular Properties

Compound Name4-chloro-3-(trichloromethoxy)benzaldehyde
PubChem CID173442881
Molecular FormulaC8H4Cl4O2
Molecular Weight273.93 g/mol
Exact Mass271.90
IUPAC Name4-chloro-3-(trichloromethoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)c(OC(Cl)(Cl)Cl)c1
InChIInChI=1S/C8H4Cl4O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-4H
InChIKeyCQJAESRQBKQKNQ-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.93
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-prop-2-ynoxybenzaldehyde
CID 73012754
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
3,4-bis[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 129155644
4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde
CID 168914750
4-chloro-3-(3-chlorophenoxy)benzaldehyde
CID 170985401
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde
CID 23073341
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2899329
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 23497475
4-(4-chloro-3-methoxyphenyl)-3-methylbenzaldehyde
CID 81447221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(trichloromethoxy)benzaldehyde?
The IUPAC name of 4-chloro-3-(trichloromethoxy)benzaldehyde (CID 173442881) is 4-chloro-3-(trichloromethoxy)benzaldehyde.
What is the SMILES notation for 4-chloro-3-(trichloromethoxy)benzaldehyde?
The canonical SMILES for 4-chloro-3-(trichloromethoxy)benzaldehyde is O=Cc1ccc(Cl)c(OC(Cl)(Cl)Cl)c1.
What is the InChIKey of 4-chloro-3-(trichloromethoxy)benzaldehyde?
The InChIKey is CQJAESRQBKQKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl4O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-4H.
What are the key properties of 4-chloro-3-(trichloromethoxy)benzaldehyde?
4-chloro-3-(trichloromethoxy)benzaldehyde has a molecular weight of 273.93 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(trichloromethoxy)benzaldehyde is sourced from PubChem (CID 173442881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).