ethyl 2-bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 150108-66-0

Formula: C11H13BrO2S

SMILES: CCOC(=O)C1=C(Br)SC2=C1CCCC2

IUPAC: ethyl 2-bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C11H13BrO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6H2,1H3

Composition: C (45.69%), H (4.53%), Br (27.63%), O (11.06%), S (11.09%)

Molar Mass: 289.19

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.981964
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KRHUTJDRKGFWQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.14
Topological Polar Surface Area	26.3
Polarizability	24.69
Ring Count	2
Rotatable Bond Count	3

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