Text Search
Structure Search

2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

CAS: 843646-72-0

Formula: C14H20BNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC(CC(N)=O)=CC=C1

IUPAC: 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

InChI: InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-7-5-6-10(8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H2,16,17)

Composition: C (64.40%), H (7.72%), B (4.14%), N (5.36%), O (18.38%)

Molar Mass: 261.13

Atom Count: 39

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 261.153624
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QVGSPDOXCXYGMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.84
Topological Polar Surface Area 61.55
Polarizability 28.89
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 843646-72-0 $286.35-$884.35$286.35$884.35
Request Quote