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

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

CAS: 68281-65-2

Formula: C11H9ClO3

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

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

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

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 OLQOSWHSVZKSLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.97
Topological Polar Surface Area 35.53
Polarizability 21.9
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 68281-65-2 $966.00-$6,762.00$966.00$1,817.00$6,762.00
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