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N-ethyl-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-ethyl-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Formula: C15H21BFNO3

SMILES: CCNC(=O)C1=C(F)C=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: N-ethyl-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

InChI: InChI=1S/C15H21BFNO3/c1-6-18-13(19)11-9-10(7-8-12(11)17)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3,(H,18,19)

Composition: C (61.46%), H (7.22%), B (3.69%), F (6.48%), N (4.78%), O (16.37%)

Molar Mass: 293.15

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 293.159852
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SNTRTULBEYHRRW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.65
Topological Polar Surface Area 47.56
Polarizability 30.19
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula UnitPrice
98% <10 Days C15H21BFNO3 Quote Only