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methyl 2-[3-(3-chlorophenyl)propyl]-6-methoxybenzoate

methyl 2-[3-(3-chlorophenyl)propyl]-6-methoxybenzoate

CAS: 1171923-22-0

Formula: C18H19ClO3

SMILES: COC(=O)C1=C(CCCC2=CC(Cl)=CC=C2)C=CC=C1OC

IUPAC: methyl 2-[3-(3-chlorophenyl)propyl]-6-methoxybenzoate

InChI: InChI=1S/C18H19ClO3/c1-21-16-11-5-9-14(17(16)18(20)22-2)8-3-6-13-7-4-10-15(19)12-13/h4-5,7,9-12H,3,6,8H2,1-2H3

Composition: C (67.82%), H (6.01%), Cl (11.12%), O (15.06%)

Molar Mass: 318.8

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 318.1022722
Formal Charge 0
FSP3 0.28
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IMLWKEYLTYACEH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 88.29
Topological Polar Surface Area 35.53
Polarizability 34.09
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 1171923-22-0 $442.26$442.26
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