3-chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenylboronic acid

3-chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenylboronic acid

CAS: 849062-24-4

Formula: C15H16BClO5

SMILES: COC1=CC(OC)=CC(COC2=CC=C(C=C2Cl)B(O)O)=C1

IUPAC: {3-chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenyl}boronic acid

InChI: InChI=1S/C15H16BClO5/c1-20-12-5-10(6-13(8-12)21-2)9-22-15-4-3-11(16(18)19)7-14(15)17/h3-8,18-19H,9H2,1-2H3

Composition: C (55.86%), H (5.00%), B (3.35%), Cl (10.99%), O (24.80%)

Molar Mass: 322.55

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	322.077931
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ALGYTGHGIFYXPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.41
Topological Polar Surface Area	68.15
Polarizability	32.59
Ring Count	2
Rotatable Bond Count	6

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