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3-chloro-5-(2-methylpropoxy)phenylboronic acid

3-chloro-5-(2-methylpropoxy)phenylboronic acid

CAS: 1256345-48-8

Formula: C10H14BClO3

SMILES: CC(C)COC1=CC(Cl)=CC(=C1)B(O)O

IUPAC: [3-chloro-5-(2-methylpropoxy)phenyl]boronic acid

InChI: InChI=1S/C10H14BClO3/c1-7(2)6-15-10-4-8(11(13)14)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3

Composition: C (52.57%), H (6.18%), B (4.73%), Cl (15.52%), O (21.01%)

Molar Mass: 228.48

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.072452
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CGTOXTWGSICCOL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.62
Topological Polar Surface Area 49.69
Polarizability 23.46
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1256345-48-8 $409.40-$2,746.20$409.40$1,061.45$2,746.20
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