2,6-dimethylphenylboronic acid

2,6-dimethylphenylboronic acid

CAS: 100379-00-8

Formula: C8H11BO2

SMILES: CC1=CC=CC(C)=C1B(O)O

IUPAC: (2,6-dimethylphenyl)boronic acid

InChI: InChI=1S/C8H11BO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3

Composition: C (64.07%), H (7.39%), B (7.21%), O (21.33%)

Molar Mass: 149.98

Atom Count: 22

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	150.08521
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZXDTWWZIHJEZOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.69
Topological Polar Surface Area	40.46
Polarizability	17.07
Ring Count	1
Rotatable Bond Count	1

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