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methyl 6-bromo-8-methoxy-2H-chromene-3-carboxylate

methyl 6-bromo-8-methoxy-2H-chromene-3-carboxylate

CAS: 885271-18-1

Formula: C12H11BrO4

SMILES: COC(=O)C1=CC2=CC(Br)=CC(OC)=C2OC1

IUPAC: methyl 6-bromo-8-methoxy-2H-chromene-3-carboxylate

InChI: InChI=1S/C12H11BrO4/c1-15-10-5-9(13)4-7-3-8(12(14)16-2)6-17-11(7)10/h3-5H,6H2,1-2H3

Composition: C (48.19%), H (3.71%), Br (26.71%), O (21.39%)

Molar Mass: 299.12

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 297.984072
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey IAWIMKNVCBGEGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.25
Topological Polar Surface Area 44.76
Polarizability 25.44
Ring Count 2
Rotatable Bond Count 3

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96% <2 Days 885271-18-1 $171.35-$7,912.00$171.35$227.70$342.70$572.70$2,290.80$7,912.00
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