Text Search
Structure Search

4-(benzyloxy)-2,6-dimethylphenylboronic acid

4-(benzyloxy)-2,6-dimethylphenylboronic acid

CAS: 865139-18-0

Formula: C15H17BO3

SMILES: CC1=CC(OCC2=CC=CC=C2)=CC(C)=C1B(O)O

IUPAC: [4-(benzyloxy)-2,6-dimethylphenyl]boronic acid

InChI: InChI=1S/C15H17BO3/c1-11-8-14(9-12(2)15(11)16(17)18)19-10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3

Composition: C (70.35%), H (6.69%), B (4.22%), O (18.74%)

Molar Mass: 256.11

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 256.127074
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CMCVDHBBWOUHOU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.76
Topological Polar Surface Area 49.69
Polarizability 29.18
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Key Organics Ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 865139-18-0 $119.08-$387.84$119.08$119.08$387.84$387.84
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 865139-18-0 $17.65-$160.15$17.65$41.61$160.15
Request Quote
LabNetwork INC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 865139-18-0 $128.25$128.25
Request Quote