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ethyl 3-[(3-chloro-4-methylphenyl)carbamoyl]propanoate

ethyl 3-[(3-chloro-4-methylphenyl)carbamoyl]propanoate

Formula: C13H16ClNO3

SMILES: CCOC(=O)CCC(=O)NC1=CC=C(C)C(Cl)=C1

IUPAC: ethyl 3-[(3-chloro-4-methylphenyl)carbamoyl]propanoate

InChI: InChI=1S/C13H16ClNO3/c1-3-18-13(17)7-6-12(16)15-10-5-4-9(2)11(14)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)

Composition: C (57.89%), H (5.98%), Cl (13.14%), N (5.19%), O (17.79%)

Molar Mass: 269.73

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.0818711
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DDVOXXQVXLYNFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.18
Topological Polar Surface Area 55.4
Polarizability 27.01
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H16ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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