tert-butyl 3-(4-amino-2-fluorophenyl)propanoate

tert-butyl 3-(4-amino-2-fluorophenyl)propanoate

CAS: 865138-41-6

Formula: C13H18FNO2

SMILES: CC(C)(C)OC(=O)CCC1=CC=C(N)C=C1F

IUPAC: tert-butyl 3-(4-amino-2-fluorophenyl)propanoate

InChI: InChI=1S/C13H18FNO2/c1-13(2,3)17-12(16)7-5-9-4-6-10(15)8-11(9)14/h4,6,8H,5,7,15H2,1-3H3

Composition: C (65.25%), H (7.58%), F (7.94%), N (5.85%), O (13.37%)

Molar Mass: 239.29

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.132156987
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XMLAPVZZWVHGGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.46
Topological Polar Surface Area	52.32
Polarizability	24.8
Ring Count	1
Rotatable Bond Count	5

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<2 Days	865138-41-6		$1,147.70-$9,062.00$1,147.70$2,162.00$9,062.00