ethyl 3-(2-fluoro-4-methoxyphenyl)propanoate

ethyl 3-(2-fluoro-4-methoxyphenyl)propanoate

CAS: 691904-77-5

Formula: C12H15FO3

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

IUPAC: ethyl 3-(2-fluoro-4-methoxyphenyl)propanoate

InChI: InChI=1S/C12H15FO3/c1-3-16-12(14)7-5-9-4-6-10(15-2)8-11(9)13/h4,6,8H,3,5,7H2,1-2H3

Composition: C (63.71%), H (6.68%), F (8.40%), O (21.21%)

Molar Mass: 226.247

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.100522506
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZTHVZSUQIOWMDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.16
Topological Polar Surface Area	35.53
Polarizability	22.52
Ring Count	1
Rotatable Bond Count	6

Suppliers

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	691904-77-5		$204.12-$2,041.20$204.12$340.20$680.40$2,041.20