2-ethylhexyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate

2-ethylhexyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate

CAS: 1237479-38-7

Formula: C15H17Br2FO2S2

SMILES: CCCCC(CC)COC(=O)C1=C(F)C2=C(Br)SC(Br)=C2S1

IUPAC: 2-ethylhexyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate

InChI: InChI=1/C15H17Br2FO2S2/c1-3-5-6-8(4-2)7-20-15(19)12-10(18)9-11(21-12)14(17)22-13(9)16/h8H,3-7H2,1-2H3

Composition: C (38.15%), H (3.63%), Br (33.84%), F (4.02%), O (6.78%), S (13.58%)

Molar Mass: 472.23

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	469.902076
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SOEJTOAKIMQIGL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	94.24
Topological Polar Surface Area	26.3
Polarizability	38.15
Ring Count	2
Rotatable Bond Count	8

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