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4-(hexyloxy)phenylboronic acid

4-(hexyloxy)phenylboronic acid

CAS: 121219-08-7

Formula: C12H19BO3

SMILES: CCCCCCOC1=CC=C(C=C1)B(O)O

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

InChI: InChI=1S/C12H19BO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9,14-15H,2-5,10H2,1H3

Composition: C (64.90%), H (8.62%), B (4.87%), O (21.61%)

Molar Mass: 222.09

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 222.142724
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XYNVLFGOOWUKQS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.14
Topological Polar Surface Area 49.69
Polarizability 25.26
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS UnitPrice
98% <14 Days 121219-08-7 Quote Only
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <14 Days 121219-08-7 Quote Only