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methyl 7-bromo-1-benzofuran-5-carboxylate

methyl 7-bromo-1-benzofuran-5-carboxylate

CAS: 286836-79-1

Formula: C10H7BrO3

SMILES: COC(=O)C1=CC(Br)=C2OC=CC2=C1

IUPAC: methyl 7-bromo-1-benzofuran-5-carboxylate

InChI: InChI=1S/C10H7BrO3/c1-13-10(12)7-4-6-2-3-14-9(6)8(11)5-7/h2-5H,1H3

Composition: C (47.09%), H (2.77%), Br (31.33%), O (18.82%)

Molar Mass: 255.067

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 253.957857
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QQFMMIJEJMQKOY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.55
Topological Polar Surface Area 39.44
Polarizability 21.95
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 286836-79-1 $98.36-$388.39$98.36$148.80$245.90$388.39
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