5-bromo-3-chloro-1,2-benzoxazole

C7H3BrClNO — CID 22028382

IUPAC5-bromo-3-chloro-1,2-benzoxazole
SMILESClc1noc2ccc(Br)cc12
InChIInChI=1S/C7H3BrClNO/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H
InChIKeyNJAYXZTVKFOBCT-UHFFFAOYSA-N
MW232.46 g/mol
LogP3.24
Rot. Bonds

About 5-bromo-3-chloro-1,2-benzoxazole

5-bromo-3-chloro-1,2-benzoxazole (PubChem CID 22028382) has the molecular formula C7H3BrClNO and a molecular weight of 232.46 g/mol. Its IUPAC name is 5-bromo-3-chloro-1,2-benzoxazole.

Molecular Properties

Compound Name5-bromo-3-chloro-1,2-benzoxazole
PubChem CID22028382
Molecular FormulaC7H3BrClNO
Molecular Weight232.46 g/mol
Exact Mass230.91
IUPAC Name5-bromo-3-chloro-1,2-benzoxazole
SMILESClc1noc2ccc(Br)cc12
InChIInChI=1S/C7H3BrClNO/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H
InChIKeyNJAYXZTVKFOBCT-UHFFFAOYSA-N
XLogP3.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1,2-benzoxazole?
The IUPAC name of 5-bromo-3-chloro-1,2-benzoxazole (CID 22028382) is 5-bromo-3-chloro-1,2-benzoxazole.
What is the SMILES notation for 5-bromo-3-chloro-1,2-benzoxazole?
The canonical SMILES for 5-bromo-3-chloro-1,2-benzoxazole is Clc1noc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-chloro-1,2-benzoxazole?
The InChIKey is NJAYXZTVKFOBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H.
What are the key properties of 5-bromo-3-chloro-1,2-benzoxazole?
5-bromo-3-chloro-1,2-benzoxazole has a molecular weight of 232.46 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-1,2-benzoxazole is sourced from PubChem (CID 22028382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).