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4-(cyclohexylmethoxy)phenylboronic acid

4-(cyclohexylmethoxy)phenylboronic acid

CAS: 938443-35-7

Formula: C13H19BO3

SMILES: OB(O)C1=CC=C(OCC2CCCCC2)C=C1

IUPAC: [4-(cyclohexylmethoxy)phenyl]boronic acid

InChI: InChI=1S/C13H19BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11,15-16H,1-5,10H2

Composition: C (66.70%), H (8.18%), B (4.62%), O (20.50%)

Molar Mass: 234.1

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 234.142724
Formal Charge 0
FSP3 0.54
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KXOJKGOXRZMOBU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.81
Topological Polar Surface Area 49.69
Polarizability 26.37
Ring Count 2
Rotatable Bond Count 4

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