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

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

CAS: 177496-79-6

Formula: C11H9BrO3

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

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

InChI: InChI=1S/C11H9BrO3/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-5H,6H2,1H3

Composition: C (49.10%), H (3.37%), Br (29.69%), O (17.84%)

Molar Mass: 269.094

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 267.973507
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CEULXKZILRCRET-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.79
Topological Polar Surface Area 35.53
Polarizability 22.87
Ring Count 2
Rotatable Bond Count 2

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