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886366-08-1 | Ethyl 2-(3-chlorobenzyl)-3-(methylamino)propanoate
CAS No: 886366-08-1 Catalog No: AG0049LE MDL No:
Product Description
Catalog Number:
AG0049LE
Chemical Name:
Ethyl 2-(3-chlorobenzyl)-3-(methylamino)propanoate
CAS Number:
886366-08-1
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
IUPAC Name:
ethyl 2-[(3-chlorophenyl)methyl]-3-(methylamino)propanoate
InChI:
InChI=1S/C13H18ClNO2/c1-3-17-13(16)11(9-15-2)7-10-5-4-6-12(14)8-10/h4-6,8,11,15H,3,7,9H2,1-2H3
InChI Key:
PLLPOWPAMFQAPR-UHFFFAOYSA-N
SMILES:
CNCC(C(=O)OCC)Cc1cccc(c1)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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