4-(dihydroxyboranyl)-2,5-difluorophenylboronic acid

4-(dihydroxyboranyl)-2,5-difluorophenylboronic acid

CAS: 1256358-83-4

Formula: C6H6B2F2O4

SMILES: OB(O)C1=CC(F)=C(C=C1F)B(O)O

IUPAC: [4-(dihydroxyboranyl)-2,5-difluorophenyl]boronic acid

InChI: InChI=1S/C6H6B2F2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,11-14H

Composition: C (35.72%), H (3.00%), B (10.72%), F (18.84%), O (31.72%)

Molar Mass: 201.73

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.042025
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	CSOLBHLZNAGMMP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.58
Topological Polar Surface Area	80.92
Polarizability	16.34
Ring Count	1
Rotatable Bond Count	2

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