4-chloro-3-(2-methoxyethoxy)phenylboronic acid

4-chloro-3-(2-methoxyethoxy)phenylboronic acid

CAS: 1256355-00-6

Formula: C9H12BClO4

SMILES: COCCOC1=CC(=CC=C1Cl)B(O)O

IUPAC: [4-chloro-3-(2-methoxyethoxy)phenyl]boronic acid

InChI: InChI=1S/C9H12BClO4/c1-14-4-5-15-9-6-7(10(12)13)2-3-8(9)11/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	DQKODDSMRUVJSP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.92
Topological Polar Surface Area	58.92
Polarizability	22.38
Ring Count	1
Rotatable Bond Count	5

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