2-[(2,4-dichlorophenyl)methoxy]phenylboronic acid

2-[(2,4-dichlorophenyl)methoxy]phenylboronic acid

CAS: 1256355-69-7

Formula: C13H11BCl2O3

SMILES: OB(O)C1=CC=CC=C1OCC1=CC=C(Cl)C=C1Cl

IUPAC: {2-[(2,4-dichlorophenyl)methoxy]phenyl}boronic acid

InChI: InChI=1S/C13H11BCl2O3/c15-10-6-5-9(12(16)7-10)8-19-13-4-2-1-3-11(13)14(17)18/h1-7,17-18H,8H2

Composition: C (52.58%), H (3.73%), B (3.64%), Cl (23.88%), O (16.16%)

Molar Mass: 296.94

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	296.01783
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HMNSZIXNILDVEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.29
Topological Polar Surface Area	49.69
Polarizability	29.41
Ring Count	2
Rotatable Bond Count	4

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