benzyl 3-fluoro-4,4-dihydroxypiperidine-1-carboxylate

benzyl 3-fluoro-4,4-dihydroxypiperidine-1-carboxylate

CAS: 2102412-10-0

Formula: C13H16FNO4

SMILES: OC1(O)CCN(CC1F)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-fluoro-4,4-dihydroxypiperidine-1-carboxylate

InChI: InChI=1/C13H16FNO4/c14-11-8-15(7-6-13(11,17)18)12(16)19-9-10-4-2-1-3-5-10/h1-5,11,17-18H,6-9H2

Composition: C (57.99%), H (5.99%), F (7.06%), N (5.20%), O (23.77%)

Molar Mass: 269.272

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.106336162
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KRNXUZSSOHLDKH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.68
Topological Polar Surface Area	70
Polarizability	25.44
Ring Count	2
Rotatable Bond Count	3

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Shanghai AQ BioPharma Co., Ltd.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<8 Days	2102412-10-0		$42.86-$671.43$42.86$127.14$200.00$414.29$671.43