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122723-93-7 | L-Asparagine, N2-(chloroacetyl)- (9CI)
CAS No: 122723-93-7 Catalog No: AG000J2L MDL No:
Product Description
Catalog Number:
AG000J2L
Chemical Name:
L-Asparagine, N2-(chloroacetyl)- (9CI)
CAS Number:
122723-93-7
Molecular Formula:
C6H9ClN2O4
Molecular Weight:
208.5997
IUPAC Name:
(2S)-4-amino-2-[(2-chloroacetyl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C6H9ClN2O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2H2,(H2,8,10)(H,9,11)(H,12,13)/t3-/m0/s1
InChI Key:
MTOREWCHUWIPOO-VKHMYHEASA-N
SMILES:
ClCC(=O)N[C@H](C(=O)O)CC(=O)N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
208.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.598g/mol
Monoisotopic Mass:
208.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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