1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile

1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile

CAS: 1256360-48-1

Formula: C16H19BClNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC(Cl)=CC(=C1)C1(CC1)C#N

IUPAC: 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile

InChI: InChI=1S/C16H19BClNO2/c1-14(2)15(3,4)21-17(20-14)12-7-11(8-13(18)9-12)16(10-19)5-6-16/h7-9H,5-6H2,1-4H3

Composition: C (63.30%), H (6.31%), B (3.56%), Cl (11.68%), N (4.61%), O (10.54%)

Molar Mass: 303.59

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	303.119737
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HIBAVNIZBCSVPA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.08
Topological Polar Surface Area	42.25
Polarizability	32.34
Ring Count	3
Rotatable Bond Count	2

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