Text Search
Structure Search

octyl 5-bromo-5'-formyl-[2,2'-bithiophene]-3-carboxylate

octyl 5-bromo-5'-formyl-[2,2'-bithiophene]-3-carboxylate

CAS: 2703752-72-9

Formula: C18H21BrO3S2

SMILES: CCCCCCCCOC(=O)C1=C(SC(Br)=C1)C1=CC=C(S1)C=O

IUPAC: octyl 5-bromo-5'-formyl-[2,2'-bithiophene]-3-carboxylate

InChI: InChI=1S/C18H21BrO3S2/c1-2-3-4-5-6-7-10-22-18(21)14-11-16(19)24-17(14)15-9-8-13(12-20)23-15/h8-9,11-12H,2-7,10H2,1H3

Composition: C (50.35%), H (4.93%), Br (18.61%), O (11.18%), S (14.93%)

Molar Mass: 429.39

Atom Count: 45

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 428.01155
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ISTIJIOVXRCZIV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 102.43
Topological Polar Surface Area 43.37
Polarizability 40.67
Ring Count 2
Rotatable Bond Count 11

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 2703752-72-9 $84.49-$345.51$84.49$133.67$345.51
Request Quote