4,6-dibromothieno[3,4-b]thiophene-2-carboxylic acid

4,6-dibromothieno[3,4-b]thiophene-2-carboxylic acid

CAS: 1024594-86-2

Formula: C7H2Br2O2S2

SMILES: OC(=O)C1=CC2=C(Br)SC(Br)=C2S1

IUPAC: 4,6-dibromothieno[3,4-b]thiophene-2-carboxylic acid

InChI: InChI=1S/C7H2Br2O2S2/c8-5-2-1-3(7(10)11)12-4(2)6(9)13-5/h1H,(H,10,11)

Composition: C (24.58%), H (0.59%), Br (46.72%), O (9.36%), S (18.75%)

Molar Mass: 342.02

Atom Count: 15

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	339.786298
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LZZZIBXZKLAXSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.11
Topological Polar Surface Area	37.3
Polarizability	23.73
Ring Count	2
Rotatable Bond Count	1

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