CAS
1451393-51-3 Purity
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1451393-51-3 Purity
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3,5-Bis(trifluoromethyl)benzylboronic acid
CAS
1451393-52-4
Catalog Number
ACM1451393524
Category
Boronic Acids
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What is the molecular formula of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The molecular formula is C9H7BF6O2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The molecular weight is 271.95 g/mol.
What is the IUPAC name of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The IUPAC name is [3,5-bis(trifluoromethyl)phenyl]methylboronic acid.
What is the InChI of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The InChI is InChI=1S/C9H7BF6O2/c11-8(12,13)6-1-5(4-10(17)18)2-7(3-6)9(14,15)16/h1-3,17-18H,4H2.
What is the InChIKey of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The InChIKey is REMKPLMTAFTLPK-UHFFFAOYSA-N.
What is the canonical SMILES of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The canonical SMILES is B(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(O)O.
What is the CAS number of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The CAS number is 1451393-52-4.
What is the hydrogen bond donor count of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 3,5-Bis(trifluoromethyl)benzylboronic acid?
The hydrogen bond acceptor count is 8.
Is 3,5-Bis(trifluoromethyl)benzylboronic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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