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

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

CAS: 934127-20-5

Formula: C12H8ClFO3S

SMILES: OC(=O)C1=CC=C(COC2=CC=C(F)C=C2Cl)S1

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

InChI: InChI=1S/C12H8ClFO3S/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 (50.27%), H (2.81%), Cl (12.36%), F (6.63%), O (16.74%), S (11.18%)

Molar Mass: 286.7

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 285.9866712
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZGFFSPKCSZGCAQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.09
Topological Polar Surface Area 46.53
Polarizability 25.19
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 934127-20-5 $254.80$254.80
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