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122186-95-2 | Benzenepropanoic acid, 2-[4-(acetylamino)-1-oxobutyl]-5-chloro-, nonyl ester
CAS No: 122186-95-2 Catalog No: AG0016WR MDL No:
Product Description
Catalog Number:
AG0016WR
Chemical Name:
Benzenepropanoic acid, 2-[4-(acetylamino)-1-oxobutyl]-5-chloro-, nonyl ester
CAS Number:
122186-95-2
Molecular Formula:
C24H36ClNO4
Molecular Weight:
437.9999
IUPAC Name:
nonyl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate
InChI:
InChI=1S/C24H36ClNO4/c1-3-4-5-6-7-8-9-17-30-24(29)15-12-20-18-21(25)13-14-22(20)23(28)11-10-16-26-19(2)27/h13-14,18H,3-12,15-17H2,1-2H3,(H,26,27)
InChI Key:
FMMDYFHBIZWHQF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)CCc1cc(Cl)ccc1C(=O)CCCNC(=O)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.233g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.005g/mol
Monoisotopic Mass:
437.233g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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