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1420824-61-8 | Glycine, N-[(3-chlorophenyl)methyl]-N-cyclopropyl-, methyl ester
CAS No: 1420824-61-8 Catalog No: AG001HQM MDL No:
Product Description
Catalog Number:
AG001HQM
Chemical Name:
Glycine, N-[(3-chlorophenyl)methyl]-N-cyclopropyl-, methyl ester
CAS Number:
1420824-61-8
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
IUPAC Name:
methyl 2-[(3-chlorophenyl)methyl-cyclopropylamino]acetate
InChI:
InChI=1S/C13H16ClNO2/c1-17-13(16)9-15(12-5-6-12)8-10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8-9H2,1H3
InChI Key:
PTCYQLQSVOXUED-UHFFFAOYSA-N
SMILES:
COC(=O)CN(C1CC1)Cc1cccc(c1)Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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