5-bromo-3-(dihydroxyboranyl)-2-fluorobenzoic acid

5-bromo-3-(dihydroxyboranyl)-2-fluorobenzoic acid

CAS: 957120-63-7

Formula: C7H5BBrFO4

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

IUPAC: 5-bromo-3-(dihydroxyboranyl)-2-fluorobenzoic acid

InChI: InChI=1S/C7H5BBrFO4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2,13-14H,(H,11,12)

Composition: C (31.99%), H (1.92%), B (4.11%), Br (30.40%), F (7.23%), O (24.35%)

Molar Mass: 262.83

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.94483
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	RFODFEHCGMALLT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.7
Topological Polar Surface Area	77.76
Polarizability	18.8
Ring Count	1
Rotatable Bond Count	2

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