5-(1-cyanocyclopropyl)-2-fluorophenylboronic acid

5-(1-cyanocyclopropyl)-2-fluorophenylboronic acid

CAS: 1256345-50-2

Formula: C10H9BFNO2

SMILES: OB(O)C1=CC(=CC=C1F)C1(CC1)C#N

IUPAC: [5-(1-cyanocyclopropyl)-2-fluorophenyl]boronic acid

InChI: InChI=1S/C10H9BFNO2/c12-9-2-1-7(5-8(9)11(14)15)10(6-13)3-4-10/h1-2,5,14-15H,3-4H2

Composition: C (58.59%), H (4.43%), B (5.27%), F (9.27%), N (6.83%), O (15.61%)

Molar Mass: 205

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.071037
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JKWXKJVCALEGGN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.38
Topological Polar Surface Area	64.25
Polarizability	19.71
Ring Count	2
Rotatable Bond Count	2

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