5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one

C7H2BrCl2NO2 — CID 107663268

IUPAC5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(Cl)c(Br)cc(Cl)c2o1
InChIInChI=1S/C7H2BrCl2NO2/c8-2-1-3(9)6-5(4(2)10)11-7(12)13-6/h1H,(H,11,12)
InChIKeyGZRMIPWAAXAZIV-UHFFFAOYSA-N
MW282.91 g/mol
LogP3.19
Rot. Bonds

About 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one

5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one (PubChem CID 107663268) has the molecular formula C7H2BrCl2NO2 and a molecular weight of 282.91 g/mol. Its IUPAC name is 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one
PubChem CID107663268
Molecular FormulaC7H2BrCl2NO2
Molecular Weight282.91 g/mol
Exact Mass280.86
IUPAC Name5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(Cl)c(Br)cc(Cl)c2o1
InChIInChI=1S/C7H2BrCl2NO2/c8-2-1-3(9)6-5(4(2)10)11-7(12)13-6/h1H,(H,11,12)
InChIKeyGZRMIPWAAXAZIV-UHFFFAOYSA-N
XLogP3.19
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.91
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione
CID 104725255
7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one
CID 82230833
5-bromo-7-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
CID 71757294
CID 67925044
CID 67925044
6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione
CID 122200694
6-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 22493297
5-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 63109373
8-chloro-1H-3,1-benzoxazine-2,4-dione
CID 517535
8-chloro-1,3-benzoxazine-2,4-dione
CID 11571962
1,2-dibromo-4,5-dichlorobenzene
CID 4137564
5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 136530706
methyl 4-chloro-7-ethoxy-2-oxo-3H-1,3-benzoxazole-6-carboxylate
CID 10612192

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one (CID 107663268) is 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one is O=c1[nH]c2c(Cl)c(Br)cc(Cl)c2o1.
What is the InChIKey of 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one?
The InChIKey is GZRMIPWAAXAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2NO2/c8-2-1-3(9)6-5(4(2)10)11-7(12)13-6/h1H,(H,11,12).
What are the key properties of 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one?
5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one has a molecular weight of 282.91 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 107663268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).