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1246633-55-5 Purity
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1246633-55-5 Purity
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4-Ethoxy-3-fluoro-2-formylphenylboronic acid
CAS
1246404-48-7
Catalog Number
ACM1246404487
Category
Boronic Acids
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What is the molecular formula of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The molecular formula is C9H10BFO4.
What is the molecular weight of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The molecular weight is 211.98 g/mol.
What is the IUPAC name of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The IUPAC name is (4-ethoxy-3-fluoro-2-formylphenyl)boronic acid.
What is the InChI of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The InChI is InChI=1S/C9H10BFO4/c1-2-15-8-4-3-7(10(13)14)6(5-12)9(8)11/h3-5,13-14H,2H2,1H3.
What is the InChIKey of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The InChIKey is VLMZKIWLAAGVCK-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The canonical SMILES is B(C1=C(C(=C(C=C1)OCC)F)C=O)(O)O.
What is the hydrogen bond donor count of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The hydrogen bond acceptor count is 5.
How many rotatable bonds does 4-Ethoxy-3-fluoro-2-formylphenylboronic acid have?
It has 4 rotatable bonds.
What is the topological polar surface area of 4-Ethoxy-3-fluoro-2-formylphenylboronic acid?
The topological polar surface area is 66.8 Ų.
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