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84679-69-6 | Glycine, N-(carboxymethyl)-N-[2-[(4-chlorophenyl)amino]-2-oxoethyl]-
CAS No: 84679-69-6 Catalog No: AG004SZ0 MDL No:
Product Description
Catalog Number:
AG004SZ0
Chemical Name:
Glycine, N-(carboxymethyl)-N-[2-[(4-chlorophenyl)amino]-2-oxoethyl]-
CAS Number:
84679-69-6
Molecular Formula:
C12H13ClN2O5
Molecular Weight:
300.6950
IUPAC Name:
2-[carboxymethyl-[2-(4-chloroanilino)-2-oxoethyl]amino]acetic acid
InChI:
InChI=1S/C12H13ClN2O5/c13-8-1-3-9(4-2-8)14-10(16)5-15(6-11(17)18)7-12(19)20/h1-4H,5-7H2,(H,14,16)(H,17,18)(H,19,20)
InChI Key:
VIYXWQAKZZFIGX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)CN(CC(=O)O)CC(=O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.695g/mol
Monoisotopic Mass:
300.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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