2,4-dichloro-5-(2-methoxyethoxy)phenylboronic acid

2,4-dichloro-5-(2-methoxyethoxy)phenylboronic acid

CAS: 1256354-89-8

Formula: C9H11BCl2O4

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

IUPAC: [2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid

InChI: InChI=1S/C9H11BCl2O4/c1-15-2-3-16-9-4-6(10(13)14)7(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3

Composition: C (40.81%), H (4.19%), B (4.08%), Cl (26.77%), O (24.16%)

Molar Mass: 264.89

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.012744
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RNOGFSLJRIPEMF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.72
Topological Polar Surface Area	58.92
Polarizability	24.32
Ring Count	1
Rotatable Bond Count	5

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