3-fluoro-4-(propylcarbamoyl)phenylboronic acid

3-fluoro-4-(propylcarbamoyl)phenylboronic acid

CAS: 874289-15-3

Formula: C10H13BFNO3

SMILES: CCCNC(=O)C1=CC=C(C=C1F)B(O)O

IUPAC: [3-fluoro-4-(propylcarbamoyl)phenyl]boronic acid

InChI: InChI=1S/C10H13BFNO3/c1-2-5-13-10(14)8-4-3-7(11(15)16)6-9(8)12/h3-4,6,15-16H,2,5H2,1H3,(H,13,14)

Composition: C (53.38%), H (5.82%), B (4.80%), F (8.44%), N (6.22%), O (21.33%)

Molar Mass: 225.03

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.097251
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	ZAQISMKPCBHVHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.07
Topological Polar Surface Area	69.56
Polarizability	21.62
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	874289-15-3		$52.96-$583.84$52.96$137.45$583.84