2-chloro-4-fluoro-5-methoxyphenylboronic acid

2-chloro-4-fluoro-5-methoxyphenylboronic acid

CAS: 1256355-46-0

Formula: C7H7BClFO3

SMILES: COC1=CC(B(O)O)=C(Cl)C=C1F

IUPAC: (2-chloro-4-fluoro-5-methoxyphenyl)boronic acid

InChI: InChI=1S/C7H7BClFO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3,11-12H,1H3

Composition: C (41.14%), H (3.45%), B (5.29%), Cl (17.34%), F (9.30%), O (23.48%)

Molar Mass: 204.39

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.01608
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KMSUZUNCVLTXJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.09
Topological Polar Surface Area	49.69
Polarizability	17.75
Ring Count	1
Rotatable Bond Count	2

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