CAS
216393-64-5 Purity
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216393-64-5 Purity
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2-Methyl-5-trifluoromethyl-phenylboronic acid
CAS
947533-96-2
Catalog Number
ACM947533962
Category
Boronic Acids
Molecular Weight
203.9541296
Molecular Formula
C8H8BF3O2
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Specification
Synonyms
947533-96-2, 2-Methyl-5-(trifluoromethyl)phenylboronic acid, 2-METHYL-5-TRIFLUOROMETHYL-PHENYLBORONIC ACID, AG-H-90976, [2-methyl-5-(trifluoromethyl)phenyl]boronic acid, ACMC-209rtr, SureCN4841354, CTK5H7068, MolPort-004-968-716, ANW-40333, SBB071220, AKOS015842294, RP26051, AK-40463, KB-25417, FT-0653935, 2-Methyl-5-trifluoromethyl-phenylboronic acid,, B-4998, 2-Methyl-5-(trifluoromethyl)phenyl boronic acid, A845086
IUPAC Name
[2-methyl-5-(trifluoromethyl)phenyl]boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)C)(O)O
InChI Key
WFARXIDYQNIXLI-UHFFFAOYSA-N
Boiling Point
287ºC at 760 mmHg
Flash Point
127.4ºC
Density
1.31g/cm³
Exact Mass
204.05700
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 2-Methyl-5-trifluoromethyl-phenylboronic acid?
The molecular formula is C8H8BF3O2.
What is the molecular weight of 2-Methyl-5-trifluoromethyl-phenylboronic acid?
The molecular weight is 203.96 g/mol.
What is the IUPAC name of 2-Methyl-5-trifluoromethyl-phenylboronic acid?
The IUPAC name is [2-methyl-5-(trifluoromethyl)phenyl]boronic acid.
What is the InChI of 2-Methyl-5-trifluoromethyl-phenylboronic acid?
The InChI is InChI=1S/C8H8BF3O2/c1-5-2-3-6(8(10,11)12)4-7(5)9(13)14/h2-4,13-14H,1H3.
What is the InChIKey of 2-Methyl-5-trifluoromethyl-phenylboronic acid?
The InChIKey is WFARXIDYQNIXLI-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Methyl-5-trifluoromethyl-phenylboronic acid?
The canonical SMILES is B(C1=C(C=CC(=C1)C(F)(F)F)C)(O)O.
What is the CAS number of 2-Methyl-5-trifluoromethyl-phenylboronic acid?
The CAS number is 947533-96-2.
How many hydrogen bond donor sites does 2-Methyl-5-trifluoromethyl-phenylboronic acid have?
It has 2 hydrogen bond donor sites.
How many hydrogen bond acceptor sites does 2-Methyl-5-trifluoromethyl-phenylboronic acid have?
It has 5 hydrogen bond acceptor sites.
How many rotatable bonds does 2-Methyl-5-trifluoromethyl-phenylboronic acid have?
It has 1 rotatable bond.
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