5-(2,4-difluorophenoxymethyl)thiophene-2-carboxylic acid

5-(2,4-difluorophenoxymethyl)thiophene-2-carboxylic acid

CAS: 934127-23-8

Formula: C12H8F2O3S

SMILES: OC(=O)C1=CC=C(COC2=CC=C(F)C=C2F)S1

IUPAC: 5-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxylic acid

InChI: InChI=1S/C12H8F2O3S/c13-7-1-3-10(9(14)5-7)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16)

Composition: C (53.33%), H (2.98%), F (14.06%), O (17.76%), S (11.86%)

Molar Mass: 270.25

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	270.016221618
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AFTZTVFKUMSBBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.5
Topological Polar Surface Area	46.53
Polarizability	23.03
Ring Count	2
Rotatable Bond Count	4

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