3-bromo-2,5-dimethylphenylboronic acid

3-bromo-2,5-dimethylphenylboronic acid

CAS: 1259318-83-6

Formula: C8H10BBrO2

SMILES: CC1=CC(B(O)O)=C(C)C(Br)=C1

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

InChI: InChI=1S/C8H10BBrO2/c1-5-3-7(9(11)12)6(2)8(10)4-5/h3-4,11-12H,1-2H3

Composition: C (41.98%), H (4.40%), B (4.72%), Br (34.91%), O (13.98%)

Molar Mass: 228.88

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.995723
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	URNNEMQNWANJJC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.31
Topological Polar Surface Area	40.46
Polarizability	19.86
Ring Count	1
Rotatable Bond Count	1

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