2,3,5-trichloroterephthalaldehyde

C8H3Cl3O2 — CID 154087968

IUPAC2,3,5-trichloroterephthalaldehyde
SMILESO=Cc1cc(Cl)c(C=O)c(Cl)c1Cl
InChIInChI=1S/C8H3Cl3O2/c9-6-1-4(2-12)7(10)8(11)5(6)3-13/h1-3H
InChIKeyVSRQPYXMQOLKKF-UHFFFAOYSA-N
MW237.47 g/mol
LogP3.27
Rot. Bonds2

About 2,3,5-trichloroterephthalaldehyde

2,3,5-trichloroterephthalaldehyde (PubChem CID 154087968) has the molecular formula C8H3Cl3O2 and a molecular weight of 237.47 g/mol. Its IUPAC name is 2,3,5-trichloroterephthalaldehyde.

Molecular Properties

Compound Name2,3,5-trichloroterephthalaldehyde
PubChem CID154087968
Molecular FormulaC8H3Cl3O2
Molecular Weight237.47 g/mol
Exact Mass235.92
IUPAC Name2,3,5-trichloroterephthalaldehyde
SMILESO=Cc1cc(Cl)c(C=O)c(Cl)c1Cl
InChIInChI=1S/C8H3Cl3O2/c9-6-1-4(2-12)7(10)8(11)5(6)3-13/h1-3H
InChIKeyVSRQPYXMQOLKKF-UHFFFAOYSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,3-dichloro-5-fluoroterephthalaldehyde
CID 87294892
2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde
CID 13464714
2,3,4-trichloro-6-hydroxybenzaldehyde
CID 528388
3,4,6-trichloro-2-hydroxybenzaldehyde
CID 528385
2,5-dichloro-4-hydroxybenzaldehyde
CID 528381
5-chloro-2,4-difluorobenzaldehyde
CID 34174561
5-chloro-2,4-dimethylbenzaldehyde
CID 82645261
(2,4-dichloro-3-formylphenyl)boronic acid
CID 130058693
4-chloro-6-formylbenzene-1,3-disulfonic acid
CID 163702283
2-chloro-4,6-difluorobenzaldehyde
CID 88504235
2,6-dichloro-4-methylsulfanylbenzaldehyde
CID 87864028
2,5-dichloro-3,6-difluorobenzaldehyde
CID 51000168

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloroterephthalaldehyde?
The IUPAC name of 2,3,5-trichloroterephthalaldehyde (CID 154087968) is 2,3,5-trichloroterephthalaldehyde.
What is the SMILES notation for 2,3,5-trichloroterephthalaldehyde?
The canonical SMILES for 2,3,5-trichloroterephthalaldehyde is O=Cc1cc(Cl)c(C=O)c(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloroterephthalaldehyde?
The InChIKey is VSRQPYXMQOLKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3O2/c9-6-1-4(2-12)7(10)8(11)5(6)3-13/h1-3H.
What are the key properties of 2,3,5-trichloroterephthalaldehyde?
2,3,5-trichloroterephthalaldehyde has a molecular weight of 237.47 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloroterephthalaldehyde is sourced from PubChem (CID 154087968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).