3-bromo-2-isopropoxy-5-methylphenylboronic acid

3-bromo-2-isopropoxy-5-methylphenylboronic acid

CAS: 870718-01-7

Formula: C10H14BBrO3

SMILES: CC(C)OC1=C(C=C(C)C=C1Br)B(O)O

IUPAC: [3-bromo-5-methyl-2-(propan-2-yloxy)phenyl]boronic acid

InChI: InChI=1S/C10H14BBrO3/c1-6(2)15-10-8(11(13)14)4-7(3)5-9(10)12/h4-6,13-14H,1-3H3

Composition: C (44.01%), H (5.17%), B (3.96%), Br (29.28%), O (17.59%)

Molar Mass: 272.93

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.021937
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VTDMHYFQQWORBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.9
Topological Polar Surface Area	49.69
Polarizability	24.32
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	870718-01-7		$245.91$245.91