CAS
189680-06-6 Purity
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189680-06-6 Purity
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6-Bromo-2-methyl-4H-benzo[d][1,3]oxazin-4-one
CAS
19165-25-4
Catalog Number
ACM19165254
Category
Bromine Series
Molecular Weight
240.05
Molecular Formula
C9H6NO2Br
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What is the molecular formula of the compound 6-Bromo-2-methyl-4H-benzo[d][1,3]oxazin-4-one?
The molecular formula is C9H6BrNO2.
What is the molecular weight of the compound?
The molecular weight is 240.05 g/mol.
When was the compound created in PubChem?
The compound was created on July 19, 2005.
What is the InChI of the compound?
The InChI is InChI=1S/C9H6BrNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3.
What is the InChIKey of the compound?
The InChIKey is JCRULBKTDUOWMP-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is CC1=NC2=C(C=C(C=C2)Br)C(=O)O1.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.
How many hydrogen bond acceptors are there in the compound?
There are 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 38.7Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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