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

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

CAS: 957346-54-2

Formula: C13H17BFNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1F)C(N)=O

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

InChI: InChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)9-6-5-8(11(16)17)7-10(9)15/h5-7H,1-4H3,(H2,16,17)

Composition: C (58.90%), H (6.46%), B (4.08%), F (7.17%), N (5.28%), O (18.11%)

Molar Mass: 265.09

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.128552
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UKBHJXNAIHHVEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.01
Topological Polar Surface Area	61.55
Polarizability	26.53
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	957346-54-2		$51.70-$561.15$51.70$136.19$561.15