2-ethyl-3,5-dimethylphenylboronic acid

2-ethyl-3,5-dimethylphenylboronic acid

CAS: 1310403-92-9

Formula: C10H15BO2

SMILES: CCC1=C(C=C(C)C=C1C)B(O)O

IUPAC: (2-ethyl-3,5-dimethylphenyl)boronic acid

InChI: InChI=1S/C10H15BO2/c1-4-9-8(3)5-7(2)6-10(9)11(12)13/h5-6,12-13H,4H2,1-3H3

Composition: C (67.46%), H (8.49%), B (6.07%), O (17.97%)

Molar Mass: 178.04

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.11651
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MYSSTSAFZVXTAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.33
Topological Polar Surface Area	40.46
Polarizability	20.67
Ring Count	1
Rotatable Bond Count	2

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