4-acetamido-2-fluoro-5-(methoxycarbonyl)phenylboronic acid

4-acetamido-2-fluoro-5-(methoxycarbonyl)phenylboronic acid

CAS: 2408430-12-4

Formula: C10H11BFNO5

SMILES: COC(=O)C1=CC(B(O)O)=C(F)C=C1NC(C)=O

IUPAC: [4-acetamido-2-fluoro-5-(methoxycarbonyl)phenyl]boronic acid

InChI: InChI=1S/C10H11BFNO5/c1-5(14)13-9-4-8(12)7(11(16)17)3-6(9)10(15)18-2/h3-4,16-17H,1-2H3,(H,13,14)

Composition: C (47.10%), H (4.35%), B (4.24%), F (7.45%), N (5.49%), O (31.37%)

Molar Mass: 255.01

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.071431
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	JXVFJINWGXSZIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.71
Topological Polar Surface Area	95.86
Polarizability	22.69
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	2408430-12-4		$243.80-$4,597.70$243.80$373.75$631.35$1,147.70$4,597.70