4-fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

4-fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS: 1150561-55-9

Formula: C14H17BFNO3

SMILES: COC1=CC(=CC(B2OC(C)(C)C(C)(C)O2)=C1F)C#N

IUPAC: 4-fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

InChI: InChI=1S/C14H17BFNO3/c1-13(2)14(3,4)20-15(19-13)10-6-9(8-17)7-11(18-5)12(10)16/h6-7H,1-5H3

Composition: C (60.68%), H (6.18%), B (3.90%), F (6.86%), N (5.05%), O (17.32%)

Molar Mass: 277.1

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.128552
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MDLUJXDPEWBRKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.11
Topological Polar Surface Area	51.48
Polarizability	28.04
Ring Count	2
Rotatable Bond Count	2

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