2,4-Dichloro-6-propyl-1,3,5-triazine

HCID 35647

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 30894-73-6
Standard SMILES: CCCc1nc(Cl)nc(Cl)n1
InChIKey: VGVDKHQHGQNHLT-UHFFFAOYSA-N
Molecular formula: C6H7Cl2N3
Average molar mass: 192.04 g/mol
Monoisotopic mass: 191.0017026

Names & identifiers

Preferred name: 2,4-Dichloro-6-propyl-1,3,5-triazine
IUPAC: 2,4-dichloro-6-propyl-1,3,5-triazine

Names & synonyms

2,4-dichloro-6-propyl-1,3,5-triazine30894-73-62,4-dichloro-6-propyl-[1,3,5]triazineSCHEMBL1317963DTXSID40275356VGVDKHQHGQNHLT-UHFFFAOYSA-N2,4-Dichloro-6-(n-propyl)triazineAKOS006333571CS-43575

Database identifiers

CAS: 30894-73-6
PubChem CID: 35647
DTXSID: DTXSID40275356
Nikkaji: J1.615.437G

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 112

Related reactions

2 records

New reaction record

HRID 1031872As reactantuspto-grants-1990_09

HRID 2126621As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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