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114872-54-7 | Propanedioic acid, 2-(acetylamino)-2-[(3-chlorophenyl)methyl]-, 1,3-diethyl ester
CAS No: 114872-54-7 Catalog No: AG000FCS MDL No:
Product Description
Catalog Number:
AG000FCS
Chemical Name:
Propanedioic acid, 2-(acetylamino)-2-[(3-chlorophenyl)methyl]-, 1,3-diethyl ester
CAS Number:
114872-54-7
Molecular Formula:
C16H20ClNO5
Molecular Weight:
341.7867
IUPAC Name:
diethyl 2-acetamido-2-[(3-chlorophenyl)methyl]propanedioate
InChI:
InChI=1S/C16H20ClNO5/c1-4-22-14(20)16(18-11(3)19,15(21)23-5-2)10-12-7-6-8-13(17)9-12/h6-9H,4-5,10H2,1-3H3,(H,18,19)
InChI Key:
QMVKBWYLKUGYDG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(Cc1cccc(c1)Cl)NC(=O)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.788g/mol
Monoisotopic Mass:
341.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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