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methyl 6-chloro-2H-chromene-8-carboxylate

methyl 6-chloro-2H-chromene-8-carboxylate

CAS: 220841-16-7

Formula: C11H9ClO3

SMILES: COC(=O)C1=CC(Cl)=CC2=C1OCC=C2

IUPAC: methyl 6-chloro-2H-chromene-8-carboxylate

InChI: InChI=1S/C11H9ClO3/c1-14-11(13)9-6-8(12)5-7-3-2-4-15-10(7)9/h2-3,5-6H,4H2,1H3

Composition: C (58.81%), H (4.04%), Cl (15.78%), O (21.37%)

Molar Mass: 224.64

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.0240218
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PRPBLCNNEATXKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.22
Topological Polar Surface Area 35.53
Polarizability 21.88
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 220841-16-7 $3,850.00-$5,356.00$3,850.00$4,730.00$5,356.00
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