3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

CAS: 1817835-74-7

Formula: C13H19BFNO2

SMILES: CC1=C(N)C=CC(B2OC(C)(C)C(C)(C)O2)=C1F

IUPAC: 3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

InChI: InChI=1S/C13H19BFNO2/c1-8-10(16)7-6-9(11(8)15)14-17-12(2,3)13(4,5)18-14/h6-7H,16H2,1-5H3

Composition: C (62.18%), H (7.63%), B (4.30%), F (7.57%), N (5.58%), O (12.74%)

Molar Mass: 251.11

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.149287
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZRJUPSFZNNBIFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.67
Topological Polar Surface Area	44.48
Polarizability	26.57
Ring Count	2
Rotatable Bond Count	1

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