ethyl 6-bromo-1-benzothiophene-2-carboxylate

ethyl 6-bromo-1-benzothiophene-2-carboxylate

CAS: 105191-64-8

Formula: C11H9BrO2S

SMILES: CCOC(=O)C1=CC2=CC=C(Br)C=C2S1

IUPAC: ethyl 6-bromo-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C11H9BrO2S/c1-2-14-11(13)10-5-7-3-4-8(12)6-9(7)15-10/h3-6H,2H2,1H3

Composition: C (46.33%), H (3.18%), Br (28.02%), O (11.22%), S (11.24%)

Molar Mass: 285.16

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	283.950664
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QNZMCEMVNKFVOA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.58
Topological Polar Surface Area	26.3
Polarizability	25.55
Ring Count	2
Rotatable Bond Count	3

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