CAS
942474-64-8 Purity
96%
942474-64-8 Purity
96%
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4-(2,4-Difluoro-phenyl)-3-oxo-butyric acid methyl ester
CAS
942475-04-9
Catalog Number
ACM942475049
Category
Other Products
Molecular Weight
228.19
Molecular Formula
C11H10F2O3
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Specification
Synonyms
4-(2,4-DIFLUORO-PHENYL)-3-OXO-BUTYRIC ACID METHYL ESTER;2,4-DIFLUORO-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER
What is the molecular formula of the compound described in the reference?
The molecular formula is C11H10F2O3.
What is the IUPAC name of the compound?
The IUPAC name is methyl 4-(2,4-difluorophenyl)-3-oxobutanoate.
What is the InChIKey of the compound?
The InChIKey is BYQBOQLUMFTYSC-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation is COC(=O)CC(=O)CC1=C(C=C(C=C1)F)F.
What is the molecular weight of the compound?
The molecular weight is 228.19 g/mol.
How many hydrogen bond donor counts are there in the compound?
There are 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in the compound?
There are 5 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 43.4 Ų.
How many rotatable bond counts are there in the compound?
There are 5 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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