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

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

CAS: 1256346-26-5

Formula: C9H11BClFO4

SMILES: COCCOC1=C(Cl)C=CC(B(O)O)=C1F

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

InChI: InChI=1S/C9H11BClFO4/c1-15-4-5-16-9-7(11)3-2-6(8(9)12)10(13)14/h2-3,13-14H,4-5H2,1H3

Composition: C (43.51%), H (4.46%), B (4.35%), Cl (14.27%), F (7.65%), O (25.76%)

Molar Mass: 248.44

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.042295
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FUXWTCCXYLIMOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.13
Topological Polar Surface Area	58.92
Polarizability	22.16
Ring Count	1
Rotatable Bond Count	5

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