5-chloro-2-(dihydroxyboranyl)benzoic acid

5-chloro-2-(dihydroxyboranyl)benzoic acid

CAS: 850568-07-9

Formula: C7H6BClO4

SMILES: OB(O)C1=CC=C(Cl)C=C1C(O)=O

IUPAC: 5-chloro-2-(dihydroxyboranyl)benzoic acid

InChI: InChI=1S/C7H6BClO4/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,12-13H,(H,10,11)

Composition: C (41.96%), H (3.02%), B (5.39%), Cl (17.69%), O (31.94%)

Molar Mass: 200.38

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.004766
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	RENDEFHQQIYNJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.66
Topological Polar Surface Area	77.76
Polarizability	17.86
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	850568-07-9		$78.66-$216.32$78.66$216.32