CAS
850589-54-7 Purity
98%
850589-54-7 Purity
98%
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2-Ethoxy-5-trifluoromethylphenylboronic acid
CAS
850593-10-1
Catalog Number
ACM850593101
Category
Boronic Acids
Molecular Weight
233.98
Molecular Formula
C9H10BF3O3
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Specification
Synonyms
850593-10-1, 2-ETHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID, SBB071205, 2-Ethoxy-5-(trifluoromethyl)benzeneboronic acid, ACMC-209q3k, SureCN986881, CTK3E7408, MolPort-000-931-658, ANW-38094, AKOS004119233, AB30098, AG-H-41354, AG-L-44382, RL05260, AK-42460, KB-23639, FT-0644954, V1840, 2-Ethoxy-5-trifluoromethylphenylboronic acid,, (2-Ethoxy-5-trifluoromethylphenyl)boronic acid
IUPAC Name
[2-ethoxy-5-(trifluoromethyl)phenyl]boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)OCC)(O)O
InChI Key
IOCXELVDHLDNMQ-UHFFFAOYSA-N
Boiling Point
337.389ºC at 760 mmHg
Melting Point
100-104ºC
Flash Point
157.848ºC
Density
1.315g/cm³
Exact Mass
234.06800
Hazard Statements
Xi
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The molecular formula is C9H10BF3O3.
What is the molecular weight of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The molecular weight is 233.98 g/mol.
What is the IUPAC name of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The IUPAC name is [2-ethoxy-5-(trifluoromethyl)phenyl]boronic acid.
What is the InChI of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The InChI is InChI=1S/C9H10BF3O3/c1-2-16-8-4-3-6(9(11,12)13)5-7(8)10(14)15/h3-5,14-15H,2H2,1H3.
What is the InChIKey of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The InChIKey is IOCXELVDHLDNMQ-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The canonical SMILES is B(C1=C(C=CC(=C1)C(F)(F)F)OCC)(O)O.
What is the CAS number of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The CAS number is 850593-10-1.
What is the hydrogen bond donor count of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 2-Ethoxy-5-trifluoromethylphenylboronic acid?
The hydrogen bond acceptor count is 6.
Is 2-Ethoxy-5-trifluoromethylphenylboronic acid canonicalized as a compound?
Yes, it is canonicalized as a compound.
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