Text Search
Structure Search

3-chloro-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid

3-chloro-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid

CAS: 923849-73-4

Formula: C10H4ClF3O2S

SMILES: OC(=O)C1=C(Cl)C2=CC=C(C=C2S1)C(F)(F)F

IUPAC: 3-chloro-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C10H4ClF3O2S/c11-7-5-2-1-4(10(12,13)14)3-6(5)17-8(7)9(15)16/h1-3H,(H,15,16)

Composition: C (42.80%), H (1.44%), Cl (12.63%), F (20.31%), O (11.40%), S (11.42%)

Molar Mass: 280.65

Atom Count: 21

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 279.9572627
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PNTKTPICUDNHIV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.22
Topological Polar Surface Area 37.3
Polarizability 22.09
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Struchem co.,ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 923849-73-4 $517.00$517.00
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 923849-73-4 $63.05$63.05
Request Quote