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ethyl 7-bromo-1-benzothiophene-2-carboxylate

ethyl 7-bromo-1-benzothiophene-2-carboxylate

CAS: 1355171-39-9

Formula: C11H9BrO2S

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

IUPAC: ethyl 7-bromo-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C11H9BrO2S/c1-2-14-11(13)9-6-7-4-3-5-8(12)10(7)15-9/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 QMDPVCJTYPUFDS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.58
Topological Polar Surface Area 26.3
Polarizability 25.56
Ring Count 2
Rotatable Bond Count 3

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