5,7-dibromo-3H-1,3-benzoxazol-2-one

C7H3Br2NO2 — CID 21607

IUPAC5,7-dibromo-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Br)cc(Br)c2o1
InChIInChI=1S/C7H3Br2NO2/c8-3-1-4(9)6-5(2-3)10-7(11)12-6/h1-2H,(H,10,11)
InChIKeyAGSLHFQPWVSWHT-UHFFFAOYSA-N
MW292.91 g/mol
LogP2.65
Rot. Bonds

About 5,7-dibromo-3H-1,3-benzoxazol-2-one

5,7-dibromo-3H-1,3-benzoxazol-2-one (PubChem CID 21607) has the molecular formula C7H3Br2NO2 and a molecular weight of 292.91 g/mol. Its IUPAC name is 5,7-dibromo-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5,7-dibromo-3H-1,3-benzoxazol-2-one
PubChem CID21607
Molecular FormulaC7H3Br2NO2
Molecular Weight292.91 g/mol
Exact Mass290.85
IUPAC Name5,7-dibromo-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Br)cc(Br)c2o1
InChIInChI=1S/C7H3Br2NO2/c8-3-1-4(9)6-5(2-3)10-7(11)12-6/h1-2H,(H,10,11)
InChIKeyAGSLHFQPWVSWHT-UHFFFAOYSA-N
XLogP2.65
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.91
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5,7-dibromo-3H-1,3-benzoxazol-2-one (CID 21607) is 5,7-dibromo-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5,7-dibromo-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5,7-dibromo-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(Br)cc(Br)c2o1.
What is the InChIKey of 5,7-dibromo-3H-1,3-benzoxazol-2-one?
The InChIKey is AGSLHFQPWVSWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2NO2/c8-3-1-4(9)6-5(2-3)10-7(11)12-6/h1-2H,(H,10,11).
What are the key properties of 5,7-dibromo-3H-1,3-benzoxazol-2-one?
5,7-dibromo-3H-1,3-benzoxazol-2-one has a molecular weight of 292.91 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 21607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).