6-bromo-4-chloro-1,3-benzoxazole

C7H3BrClNO — CID 82095374

IUPAC6-bromo-4-chloro-1,3-benzoxazole
SMILESClc1cc(Br)cc2ocnc12
InChIInChI=1S/C7H3BrClNO/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H
InChIKeyCENCUNFSRYXZDJ-UHFFFAOYSA-N
MW232.46 g/mol
LogP3.24
Rot. Bonds

About 6-bromo-4-chloro-1,3-benzoxazole

6-bromo-4-chloro-1,3-benzoxazole (PubChem CID 82095374) has the molecular formula C7H3BrClNO and a molecular weight of 232.46 g/mol. Its IUPAC name is 6-bromo-4-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name6-bromo-4-chloro-1,3-benzoxazole
PubChem CID82095374
Molecular FormulaC7H3BrClNO
Molecular Weight232.46 g/mol
Exact Mass230.91
IUPAC Name6-bromo-4-chloro-1,3-benzoxazole
SMILESClc1cc(Br)cc2ocnc12
InChIInChI=1S/C7H3BrClNO/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H
InChIKeyCENCUNFSRYXZDJ-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 6-bromo-4-chloro-1,3-benzoxazole?
The IUPAC name of 6-bromo-4-chloro-1,3-benzoxazole (CID 82095374) is 6-bromo-4-chloro-1,3-benzoxazole.
What is the SMILES notation for 6-bromo-4-chloro-1,3-benzoxazole?
The canonical SMILES for 6-bromo-4-chloro-1,3-benzoxazole is Clc1cc(Br)cc2ocnc12.
What is the InChIKey of 6-bromo-4-chloro-1,3-benzoxazole?
The InChIKey is CENCUNFSRYXZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H.
What are the key properties of 6-bromo-4-chloro-1,3-benzoxazole?
6-bromo-4-chloro-1,3-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 6-bromo-4-chloro-1,3-benzoxazole is sourced from PubChem (CID 82095374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).