2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde

C13H6Cl4O — CID 134622694

IUPAC2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde
SMILESO=Cc1c(Cl)cccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H6Cl4O/c14-7-4-9(13(17)12(16)5-7)8-2-1-3-11(15)10(8)6-18/h1-6H
InChIKeyAGNKLURTWIKQEQ-UHFFFAOYSA-N
MW320.00 g/mol
LogP5.78
Rot. Bonds2

About 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde

2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde (PubChem CID 134622694) has the molecular formula C13H6Cl4O and a molecular weight of 320.00 g/mol. Its IUPAC name is 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde
PubChem CID134622694
Molecular FormulaC13H6Cl4O
Molecular Weight320.00 g/mol
Exact Mass317.92
IUPAC Name2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde
SMILESO=Cc1c(Cl)cccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H6Cl4O/c14-7-4-9(13(17)12(16)5-7)8-2-1-3-11(15)10(8)6-18/h1-6H
InChIKeyAGNKLURTWIKQEQ-UHFFFAOYSA-N
XLogP5.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.00
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,6-dichlorobenzaldehyde;ethane
CID 90823593
3-chloro-2-(2,3,5-trichlorophenyl)aniline
CID 119002694
2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde
CID 170403113
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
2-chloro-6-iodobenzaldehyde
CID 58951891
1,2,5-trichloro-3-[2-chloro-6-(difluoromethyl)phenyl]benzene
CID 134617250
3-chloro-2-(2,3,5-trichlorophenyl)benzonitrile
CID 134630536
6-chloro-2-(2-chlorophenyl)naphthalene-1-carbaldehyde
CID 134336876
bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide
CID 175118344
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
5-chloro-4-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
CID 133092529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde?
The IUPAC name of 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde (CID 134622694) is 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde.
What is the SMILES notation for 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde?
The canonical SMILES for 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde is O=Cc1c(Cl)cccc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde?
The InChIKey is AGNKLURTWIKQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4O/c14-7-4-9(13(17)12(16)5-7)8-2-1-3-11(15)10(8)6-18/h1-6H.
What are the key properties of 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde?
2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde has a molecular weight of 320.00 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde is sourced from PubChem (CID 134622694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).