4-chloro-2-propoxyphenylboronic acid

4-chloro-2-propoxyphenylboronic acid

CAS: 1256355-03-9

Formula: C9H12BClO3

SMILES: CCCOC1=CC(Cl)=CC=C1B(O)O

IUPAC: (4-chloro-2-propoxyphenyl)boronic acid

InChI: InChI=1S/C9H12BClO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3

Composition: C (50.41%), H (5.64%), B (5.04%), Cl (16.53%), O (22.38%)

Molar Mass: 214.45

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.056802
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UATQYHKYIPALSU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.14
Topological Polar Surface Area	49.69
Polarizability	21.63
Ring Count	1
Rotatable Bond Count	4

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