3-bromo-5-(dihydroxyboranyl)benzoic acid

3-bromo-5-(dihydroxyboranyl)benzoic acid

CAS: 913835-73-1

Formula: C7H6BBrO4

SMILES: OB(O)C1=CC(=CC(Br)=C1)C(O)=O

IUPAC: 3-bromo-5-(dihydroxyboranyl)benzoic acid

InChI: InChI=1S/C7H6BBrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)

Composition: C (34.34%), H (2.47%), B (4.42%), Br (32.64%), O (26.14%)

Molar Mass: 244.84

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.954252
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	CWBLIPMCDMSOFX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.48
Topological Polar Surface Area	77.76
Polarizability	18.9
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	913835-73-1		$18.92-$242.11$18.92$63.05$242.11