CAS
901924-23-0 Purity
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901924-23-0 Purity
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5-(4-Bromophenyl)isoxazole-3-carboxylic acid
CAS
901930-35-6
Catalog Number
ACM901930356
Category
Other Products
Molecular Weight
268.06
Molecular Formula
C10H6BrNO3
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Specification
Synonyms
5-(4-BROMOPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID;5-(4-BROMOPHENYL)-3-ISOXAZOLECARBOXYLIC ACID;OTAVA-BB 1055234
What is the molecular formula of the compound 5-(4-Bromophenyl)isoxazole-3-carboxylic acid?
The molecular formula is C10H6BrNO3.
What is the molecular weight of the compound?
The molecular weight is 268.06 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name is 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14).
What is the InChIKey of the compound?
The InChIKey is MLMNGXLPBJRYFI-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)Br.
What is the CAS number of the compound?
The CAS number is 33282-23-4.
What is the XLogP3 value of the compound?
The XLogP3 value is 2.6.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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