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4-chloro-2-(2-methoxyethoxy)phenylboronic acid

4-chloro-2-(2-methoxyethoxy)phenylboronic acid

CAS: 1256354-97-8

Formula: C9H12BClO4

SMILES: COCCOC1=CC(Cl)=CC=C1B(O)O

IUPAC: [4-chloro-2-(2-methoxyethoxy)phenyl]boronic acid

InChI: InChI=1S/C9H12BClO4/c1-14-4-5-15-9-6-7(11)2-3-8(9)10(12)13/h2-3,6,12-13H,4-5H2,1H3

Composition: C (46.91%), H (5.25%), B (4.69%), Cl (15.38%), O (27.77%)

Molar Mass: 230.45

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.051717
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CLYQTKHBUWZDKT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.91
Topological Polar Surface Area 58.92
Polarizability 22.36
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 1256354-97-8 $449.65-$2,746.20$449.65$816.50$2,746.20
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