(6-bromo-1,2-benzoxazol-3-yl)oxythallium

C7H3BrNO2Tl — CID 149275042

IUPAC(6-bromo-1,2-benzoxazol-3-yl)oxythallium
SMILESBrc1ccc2c(O[Tl])noc2c1
InChIInChI=1S/C7H4BrNO2.Tl/c8-4-1-2-5-6(3-4)11-9-7(5)10;/h1-3H,(H,9,10);/q;+1/p-1
InChIKeyXRVJWBVJWNDJTC-UHFFFAOYSA-M
MW417.39 g/mol
LogP2.05
Rot. Bonds1

About (6-bromo-1,2-benzoxazol-3-yl)oxythallium

(6-bromo-1,2-benzoxazol-3-yl)oxythallium (PubChem CID 149275042) has the molecular formula C7H3BrNO2Tl and a molecular weight of 417.39 g/mol. Its IUPAC name is (6-bromo-1,2-benzoxazol-3-yl)oxythallium.

Molecular Properties

Compound Name(6-bromo-1,2-benzoxazol-3-yl)oxythallium
PubChem CID149275042
Molecular FormulaC7H3BrNO2Tl
Molecular Weight417.39 g/mol
Exact Mass416.91
IUPAC Name(6-bromo-1,2-benzoxazol-3-yl)oxythallium
SMILESBrc1ccc2c(O[Tl])noc2c1
InChIInChI=1S/C7H4BrNO2.Tl/c8-4-1-2-5-6(3-4)11-9-7(5)10;/h1-3H,(H,9,10);/q;+1/p-1
InChIKeyXRVJWBVJWNDJTC-UHFFFAOYSA-M
XLogP2.05
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-methyl-1,2-benzoxazol-3-amine
CID 84690903
6-bromo-3-ethyl-1,2-benzoxazole
CID 105483617
6-bromo-N,N-dimethyl-1,2-benzoxazol-3-amine
CID 131839714
6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane
CID 90883521
N-(6-bromo-1,2-benzoxazol-3-yl)-3-methylbutanamide
CID 11988535
N-[1-(6-bromo-1,2-benzoxazol-3-yl)ethyl]butan-1-amine
CID 134190163
3-ethoxy-6-methyl-1,2-benzoxazole
CID 118491983
4-(6-bromo-1,2-benzoxazol-3-yl)piperazine-1-carboxylic acid
CID 170168293
1-(6-bromo-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione
CID 166116669
(7-bromoquinolin-4-yl)oxythallium
CID 142517045
6-bromo-3-(2,3-dihydro-1H-isoindol-5-yloxymethyl)-1,2-benzoxazole
CID 167756318
N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine
CID 84805431

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,2-benzoxazol-3-yl)oxythallium?
The IUPAC name of (6-bromo-1,2-benzoxazol-3-yl)oxythallium (CID 149275042) is (6-bromo-1,2-benzoxazol-3-yl)oxythallium.
What is the SMILES notation for (6-bromo-1,2-benzoxazol-3-yl)oxythallium?
The canonical SMILES for (6-bromo-1,2-benzoxazol-3-yl)oxythallium is Brc1ccc2c(O[Tl])noc2c1.
What is the InChIKey of (6-bromo-1,2-benzoxazol-3-yl)oxythallium?
The InChIKey is XRVJWBVJWNDJTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4BrNO2.Tl/c8-4-1-2-5-6(3-4)11-9-7(5)10;/h1-3H,(H,9,10);/q;+1/p-1.
What are the key properties of (6-bromo-1,2-benzoxazol-3-yl)oxythallium?
(6-bromo-1,2-benzoxazol-3-yl)oxythallium has a molecular weight of 417.39 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,2-benzoxazol-3-yl)oxythallium is sourced from PubChem (CID 149275042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).