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4-dodecylphenylboronic acid

4-dodecylphenylboronic acid

CAS: 206763-93-1

Formula: C18H31BO2

SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)B(O)O

IUPAC: (4-dodecylphenyl)boronic acid

InChI: InChI=1S/C18H31BO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)19(20)21/h13-16,20-21H,2-12H2,1H3

Composition: C (74.49%), H (10.77%), B (3.72%), O (11.02%)

Molar Mass: 290.25

Atom Count: 52

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 290.24171
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey KCHSXQBUASGIPS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 86.26
Topological Polar Surface Area 40.46
Polarizability 35.6
Ring Count 1
Rotatable Bond Count 12

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