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methyl 3-chloronaphthalene-1-carboxylate

methyl 3-chloronaphthalene-1-carboxylate

CAS: 16650-62-7

Formula: C12H9ClO2

SMILES: COC(=O)C1=CC(Cl)=CC2=CC=CC=C12

IUPAC: methyl 3-chloronaphthalene-1-carboxylate

InChI: InChI=1S/C12H9ClO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,1H3

Composition: C (65.32%), H (4.11%), Cl (16.07%), O (14.50%)

Molar Mass: 220.65

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 220.0291072
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey TUNDKHCVSKYWJN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.34
Topological Polar Surface Area 26.3
Polarizability 24.12
Ring Count 2
Rotatable Bond Count 2

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97% <5 Days 16650-62-7 $237.07-$974.75$237.07$378.30$649.42$974.75
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