2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine

C12H10BrCl2N3O2 — CID 62869293

IUPAC2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H10BrCl2N3O2/c1-6(2)19-11-16-10(15)17-12(18-11)20-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3
InChIKeyATTUBAKUWBAYGZ-UHFFFAOYSA-N
MW379.04 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine

2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62869293) has the molecular formula C12H10BrCl2N3O2 and a molecular weight of 379.04 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62869293
Molecular FormulaC12H10BrCl2N3O2
Molecular Weight379.04 g/mol
Exact Mass376.93
IUPAC Name2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H10BrCl2N3O2/c1-6(2)19-11-16-10(15)17-12(18-11)20-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3
InChIKeyATTUBAKUWBAYGZ-UHFFFAOYSA-N
XLogP4.52
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.04
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871301
2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115401784
2-chloro-4-(2,4-dibromophenoxy)-6-methoxy-1,3,5-triazine
CID 64718654
4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107287473
N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548188
6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80882074
2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol
CID 107712359
2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868287
[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (CID 62869293) is 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(Oc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is ATTUBAKUWBAYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O2/c1-6(2)19-11-16-10(15)17-12(18-11)20-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 379.04 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62869293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).