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methyl 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylate

methyl 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylate

CAS: 68281-66-3

Formula: C11H11ClO3

SMILES: COC(=O)C1COC2=CC=C(Cl)C=C2C1

IUPAC: methyl 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylate

InChI: InChI=1/C11H11ClO3/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-3,5,8H,4,6H2,1H3

Composition: C (58.29%), H (4.89%), Cl (15.64%), O (21.18%)

Molar Mass: 226.66

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 226.0396719
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SPAAUUYJRNLHLI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.09
Topological Polar Surface Area 35.53
Polarizability 22.15
Ring Count 2
Rotatable Bond Count 2

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 68281-66-3 $51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05
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J&W PHARMLAB LLC
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 68281-66-3 $157.55-$6,762.00$157.55$201.25$286.35$457.70$1,828.50$6,762.00
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