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Structure

2-Acetylaminophenylboronic acid pinacol ester

CAS
380430-61-5
Catalog Number
ACM380430615
Category
Other
Molecular Weight
261.13g/mol
Molecular Formula
C14H20BNO3

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Specification

IUPAC Name
N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)C
InChI
InChI=1S/C14H20BNO3/c1-10(17)16-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
InChI Key
FTLANOKZIXLBML-UHFFFAOYSA-N
Complexity
341
Covalently-Bonded Unit Count
1
Exact Mass
261.153624g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
19
Monoisotopic Mass
261.153624g/mol
Rotatable Bond Count
2
What is the molecular formula of 2-Acetylaminophenylboronic acid pinacol ester?

The molecular formula of 2-Acetylaminophenylboronic acid pinacol ester is C14H20BNO3.

What is the molecular weight of 2-Acetylaminophenylboronic acid pinacol ester?

The molecular weight of 2-Acetylaminophenylboronic acid pinacol ester is 261.13 g/mol.

What is the IUPAC name of 2-Acetylaminophenylboronic acid pinacol ester?

The IUPAC name of 2-Acetylaminophenylboronic acid pinacol ester is N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.

What is the InChI of 2-Acetylaminophenylboronic acid pinacol ester?

The InChI of 2-Acetylaminophenylboronic acid pinacol ester is InChI=1S/C14H20BNO3/c1-10(17)16-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17).

What is the InChIKey of 2-Acetylaminophenylboronic acid pinacol ester?

The InChIKey of 2-Acetylaminophenylboronic acid pinacol ester is FTLANOKZIXLBML-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Acetylaminophenylboronic acid pinacol ester?

The canonical SMILES of 2-Acetylaminophenylboronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)C.

What is the CAS number of 2-Acetylaminophenylboronic acid pinacol ester?

The CAS number of 2-Acetylaminophenylboronic acid pinacol ester is 380430-61-5.

What is the EC number of 2-Acetylaminophenylboronic acid pinacol ester?

The EC number of 2-Acetylaminophenylboronic acid pinacol ester is 671-678-9.

Is 2-Acetylaminophenylboronic acid pinacol ester a canonical compound?

Yes, 2-Acetylaminophenylboronic acid pinacol ester is a canonical compound.

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