5-(2-chloro-4-fluorophenoxymethyl)furan-2-carboxylic acid

5-(2-chloro-4-fluorophenoxymethyl)furan-2-carboxylic acid

CAS: 832737-12-9

Formula: C12H8ClFO4

SMILES: OC(=O)C1=CC=C(COC2=CC=C(F)C=C2Cl)O1

IUPAC: 5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C12H8ClFO4/c13-9-5-7(14)1-3-10(9)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16)

Composition: C (53.26%), H (2.98%), Cl (13.10%), F (7.02%), O (23.65%)

Molar Mass: 270.64

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	270.0095146
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AJBCBPJNKZWQPK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.68
Topological Polar Surface Area	59.67
Polarizability	23.42
Ring Count	2
Rotatable Bond Count	4

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	832737-12-9		$127.40$127.40