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

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Basic information

CAS: 698-72-6
Standard SMILES: CCc1nc(Cl)nc(Cl)n1
InChIKey: ADVXAMGGIRUOKU-UHFFFAOYSA-N
Molecular formula: C5H5Cl2N3
Average molar mass: 178.02 g/mol
Monoisotopic mass: 176.9860526

Names & identifiers

Preferred name: 2,4-Dichloro-6-ethyl-1,3,5-triazine
IUPAC: 2,4-dichloro-6-ethyl-1,3,5-triazine
English name: 2,4-dichloro-6-ethyl-1,3,5-triazine
Molecular formula: C5H5Cl2N3
Molecular weight: 178.02

Names & synonyms

2,4-dichloro-6-ethyl-1,3,5-triazine698-72-6MFCD152036231,3,5-Triazine,2,4-dichloro-6-ethyl-NSC46519SCHEMBL1317017DTXSID30274515ADVXAMGGIRUOKU-UHFFFAOYSA-NNSC 46519NSC-46519AKOS006333574SB73277

Show more names

2,4-DICHLORO-6-ETHYL-S-TRIAZINE1,3,5-Triazine, 2,4-dichloro-6-ethyl-

BS-51097SY0865832,4-Dichloro-6-ethyl-1,3,5,-triazine2,4-bis(chloranyl)-6-ethyl-1,3,5-triazineE79885EN300-4254288F313103Z1201628137

Database identifiers

CAS: 698-72-6
PubChem CID: 12776
DTXSID: DTXSID30274515
EC Number: 188-199-1
Nikkaji: J1.551.509K

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Related reactions

4 records

New reaction record

HRID 256706As productuspto-grants-1993_11

HRID 289899As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1674505As reactantuspto-grants-2011_08

HRID 2226378As productuspto-grants-1994_09

Compound notes

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