Text Search
Structure Search

2-(1-benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

2-(1-benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

CAS: 1104637-65-1

Formula: C13H12BNO5

SMILES: CN1CC(=O)OB(OC(=O)C1)C1=CC2=CC=CC=C2O1

IUPAC: 2-(1-benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

InChI: InChI=1S/C13H12BNO5/c1-15-7-12(16)19-14(20-13(17)8-15)11-6-9-4-2-3-5-10(9)18-11/h2-6H,7-8H2,1H3

Composition: C (57.18%), H (4.43%), B (3.96%), N (5.13%), O (29.30%)

Molar Mass: 273.05

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 273.080852
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ASPDKYQZQMDSKZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.87
Topological Polar Surface Area 68.98
Polarizability 28.22
Ring Count 3
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
AA BLOCKS INC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1104637-65-1 $47.15$47.15
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1104637-65-1 $19.67-$161.46$19.67$47.61$161.46
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1104637-65-1 $27.74-$162.67$27.74$66.83$162.67
Request Quote