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ethyl 5-bromo-2,3-dihydro-1-benzofuran-7-carboxylate

ethyl 5-bromo-2,3-dihydro-1-benzofuran-7-carboxylate

CAS: 149109-10-4

Formula: C11H11BrO3

SMILES: CCOC(=O)C1=C2OCCC2=CC(Br)=C1

IUPAC: ethyl 5-bromo-2,3-dihydro-1-benzofuran-7-carboxylate

InChI: InChI=1S/C11H11BrO3/c1-2-14-11(13)9-6-8(12)5-7-3-4-15-10(7)9/h5-6H,2-4H2,1H3

Composition: C (48.73%), H (4.09%), Br (29.47%), O (17.70%)

Molar Mass: 271.11

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.989157
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YNPPZYJRSXRQKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.23
Topological Polar Surface Area 35.53
Polarizability 23.04
Ring Count 2
Rotatable Bond Count 3

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