3-chloro-4-hydroxy-5-methoxyphenylboronic acid

3-chloro-4-hydroxy-5-methoxyphenylboronic acid

CAS: 919496-57-4

Formula: C7H8BClO4

SMILES: COC1=CC(=CC(Cl)=C1O)B(O)O

IUPAC: (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid

InChI: InChI=1S/C7H8BClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10-12H,1H3

Composition: C (41.54%), H (3.98%), B (5.34%), Cl (17.52%), O (31.62%)

Molar Mass: 202.4

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.020416
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	MHYWXPHADPZFNA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.85
Topological Polar Surface Area	69.92
Polarizability	18.64
Ring Count	1
Rotatable Bond Count	2

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