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3-isopropylphenylboronic acid

3-isopropylphenylboronic acid

CAS: 216019-28-2

Formula: C9H13BO2

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

IUPAC: [3-(propan-2-yl)phenyl]boronic acid

InChI: InChI=1S/C9H13BO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7,11-12H,1-2H3

Composition: C (65.91%), H (7.99%), B (6.59%), O (19.51%)

Molar Mass: 164.01

Atom Count: 25

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 164.10086
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QSWLFBMVIGQONC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.79
Topological Polar Surface Area 40.46
Polarizability 18.99
Ring Count 1
Rotatable Bond Count 2

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