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

C12H11BrClN3O2 — CID 55124799

IUPAC2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccccc2Br)n1
InChIInChI=1S/C12H11BrClN3O2/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-6-4-3-5-8(9)13/h3-7H,1-2H3
InChIKeyHMHPDQKXZGPNQC-UHFFFAOYSA-N
MW344.60 g/mol
LogP3.87
Rot. Bonds4

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

2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 55124799) has the molecular formula C12H11BrClN3O2 and a molecular weight of 344.60 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
PubChem CID55124799
Molecular FormulaC12H11BrClN3O2
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC Name2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccccc2Br)n1
InChIInChI=1S/C12H11BrClN3O2/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-6-4-3-5-8(9)13/h3-7H,1-2H3
InChIKeyHMHPDQKXZGPNQC-UHFFFAOYSA-N
XLogP3.87
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (CID 55124799) is 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(Oc2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is HMHPDQKXZGPNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2/c1-7(2)18-11-15-10(14)16-12(17-11)19-9-6-4-3-5-8(9)13/h3-7H,1-2H3.
What are the key properties of 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 344.60 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 55124799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).