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4-isopropoxyphenylboronic acid

4-isopropoxyphenylboronic acid

CAS: 153624-46-5

Formula: C9H13BO3

SMILES: CC(C)OC1=CC=C(C=C1)B(O)O

IUPAC: [4-(propan-2-yloxy)phenyl]boronic acid

InChI: InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3

Composition: C (60.05%), H (7.28%), B (6.01%), O (26.66%)

Molar Mass: 180.01

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.095774
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CJUHQADBFQRIMC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.23
Topological Polar Surface Area 49.69
Polarizability 19.73
Ring Count 1
Rotatable Bond Count 3

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