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122199-02-4 | Benzenepropanoic acid, 2-[4-(acetylamino)-1-oxobutyl]-5-chloro-, ethyl ester
CAS No: 122199-02-4 Catalog No: AG0016X8 MDL No:
Product Description
Catalog Number:
AG0016X8
Chemical Name:
Benzenepropanoic acid, 2-[4-(acetylamino)-1-oxobutyl]-5-chloro-, ethyl ester
CAS Number:
122199-02-4
Molecular Formula:
C17H22ClNO4
Molecular Weight:
339.8139
IUPAC Name:
ethyl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate
InChI:
InChI=1S/C17H22ClNO4/c1-3-23-17(22)9-6-13-11-14(18)7-8-15(13)16(21)5-4-10-19-12(2)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)
InChI Key:
KLHGVVMGPFOGGO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cc(Cl)ccc1C(=O)CCCNC(=O)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.816g/mol
Monoisotopic Mass:
339.124g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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