CAS
693-67-4 Purity
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693-67-4 Purity
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3-Bromophthalide
CAS
6940-49-4
Catalog Number
ACM6940494
Category
Bromine Series
Molecular Weight
213.03
Molecular Formula
C8H5BrO2
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What is the PubChem CID for 3-Bromophthalide?
PubChem CID is 96218.
What is the molecular formula of 3-Bromophthalide?
The molecular formula is C8H5BrO2.
What is the molecular weight of 3-Bromophthalide?
The molecular weight is 213.03 g/mol.
What is the IUPAC name of 3-Bromophthalide?
The IUPAC name is 3-bromo-3H-2-benzofuran-1-one.
What is the InChI of 3-Bromophthalide?
The InChI is InChI=1S/C8H5BrO2/c9-7-5-3-12-11-6(5)8(10)4-1-2-7/h1-4,7H.
What is the InChIKey of 3-Bromophthalide?
The InChIKey is CLMSHAWYULIVFQ-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Bromophthalide?
The canonical SMILES is C1=CC=C2C(=C1)C(OC2=O)Br.
What is the CAS number of 3-Bromophthalide?
The CAS number is 6940-49-4.
What is the XLogP3 value of 3-Bromophthalide?
The XLogP3 value is 1.9.
Is 3-Bromophthalide considered a canonicalized compound?
Yes, 3-Bromophthalide is considered a canonicalized compound according to PubChem.
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