3,5-difluoro-4-methylphenylboronic acid

3,5-difluoro-4-methylphenylboronic acid

CAS: 1621332-09-9

Formula: C7H7BF2O2

SMILES: CC1=C(F)C=C(C=C1F)B(O)O

IUPAC: (3,5-difluoro-4-methylphenyl)boronic acid

InChI: InChI=1S/C7H7BF2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,11-12H,1H3

Composition: C (48.90%), H (4.10%), B (6.29%), F (22.10%), O (18.61%)

Molar Mass: 171.94

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.050716
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PVWCCYIZIZXRFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.08
Topological Polar Surface Area	40.46
Polarizability	14.77
Ring Count	1
Rotatable Bond Count	1

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