CAS
668983-97-9 Purity
96%
668983-97-9 Purity
96%
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3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid
CAS
1451393-23-9
Catalog Number
ACM1451393239
Category
Boronic Acids
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What is the molecular formula of 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid?
The molecular formula is C8H4BBrF6O2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid?
The molecular weight is 336.82 g/mol.
What is the IUPAC name of 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid?
The IUPAC name is [2-bromo-3,5-bis(trifluoromethyl)phenyl]boronic acid.
What is the InChI of 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid?
The InChI is InChI=1S/C8H4BBrF6O2/c10-6-4(8(14,15)16)1-3(7(11,12)13)2-5(6)9(17)18/h1-2,17-18H.
What is the InChIKey of 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid?
The InChIKey is HTTRUFHCNMHBPG-UHFFFAOYSA-N.
What is the canonical SMILES of 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid?
The canonical SMILES is B(C1=CC(=CC(=C1Br)C(F)(F)F)C(F)(F)F)(O)O.
How many hydrogen bond donor counts does 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid have?
It has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid have?
It has 8 hydrogen bond acceptor counts.
How many rotatable bond counts does 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid have?
It has 1 rotatable bond count.
What is the topological polar surface area of 3,5-Bis(trifluoromethyl)-2-bromophenylboronic acid?
The topological polar surface area is 40.5Ų.
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