4-chloro-2,6-dimethylphenylboronic acid

4-chloro-2,6-dimethylphenylboronic acid

CAS: 1027045-31-3

Formula: C8H10BClO2

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

IUPAC: (4-chloro-2,6-dimethylphenyl)boronic acid

InChI: InChI=1S/C8H10BClO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,11-12H,1-2H3

Composition: C (52.10%), H (5.47%), B (5.86%), Cl (19.22%), O (17.35%)

Molar Mass: 184.43

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.046237
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	FVASMUNXBUYNIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.49
Topological Polar Surface Area	40.46
Polarizability	18.94
Ring Count	1
Rotatable Bond Count	1

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