CAS
3999-42-6 Purity
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3999-42-6 Purity
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4-(Trifluoromethoxy)phenylboronic acid pinacol ester
CAS
474709-28-9
Catalog Number
ACM474709289-1
Category
Other
Molecular Weight
288.07g/mol
Molecular Formula
C13H16BF3O3
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Specification
IUPAC Name
4,4,5,5-tetramethyl-2-[4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-5-7-10(8-6-9)18-13(15,16)17/h5-8H,1-4H3
InChI Key
ZSFXWWRILASQRI-UHFFFAOYSA-N
Complexity
333
Covalently-Bonded Unit Count
1
Exact Mass
288.114459g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
0
Heavy Atom Count
20
Monoisotopic Mass
288.114459g/mol
Rotatable Bond Count
2
What is the molecular formula of 4-(Trifluoromethoxy)phenylboronic acid pinacol ester?
The molecular formula is C13H16BF3O3.
What is the molecular weight of 4-(Trifluoromethoxy)phenylboronic acid pinacol ester?
The molecular weight is 288.07 g/mol.
When was 4-(Trifluoromethoxy)phenylboronic acid pinacol ester created?
It was created on July 19, 2005.
When was 4-(Trifluoromethoxy)phenylboronic acid pinacol ester last modified?
It was last modified on December 2, 2023.
What is the IUPAC name of 4-(Trifluoromethoxy)phenylboronic acid pinacol ester?
The IUPAC name is 4,4,5,5-tetramethyl-2-[4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane.
What is the InChI of 4-(Trifluoromethoxy)phenylboronic acid pinacol ester?
The InChI is InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-5-7-10(8-6-9)18-13(15,16)17/h5-8H,1-4H3.
What is the InChIKey of 4-(Trifluoromethoxy)phenylboronic acid pinacol ester?
The InChIKey is ZSFXWWRILASQRI-UHFFFAOYSA-N.
What is the canonical SMILES of 4-(Trifluoromethoxy)phenylboronic acid pinacol ester?
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)(F)F.
What is the CAS number of 4-(Trifluoromethoxy)phenylboronic acid pinacol ester?
The CAS number is 474709-28-9.
What is the molecular complexity of 4-(Trifluoromethoxy)phenylboronic acid pinacol ester?
The molecular complexity is 333.
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