
 (S)-2-Amino-3-chloropropanoic acid

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.1319   -0.1730   -0.1343 C   0  0  0  0  0
    0.5793    1.2479   -0.2748 C   0  0  0  0  0
    1.2602    1.9634   -1.4457 C   0  0  0  0  0
    2.4498    1.9339   -1.7182 O   0  0  0  0  0
    0.4181    2.7355   -2.1711 O   0  0  0  0  0
   -0.9038    1.2730   -0.4019 N   0  0  0  0  0
    0.6499   -1.2302   -1.4977 Cl  0  0  0  0  0
    2.2250   -0.1775   -0.0939 H   0  0  0  0  0
    0.7553   -0.6422    0.7797 H   0  0  0  0  0
    0.8351    1.8248    0.6212 H   0  0  0  0  0
    0.9945    3.1322   -2.8586 H   0  0  0  0  0
   -1.1628    0.6323   -1.1572 H   0  0  0  0  0
   -1.1590    2.1989   -0.7621 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 11  1  0  0  0
  6 12  1  0  0  0
  6 13  1  0  0  0
M  END

>  <Chemical Name>
(S)-2-Amino-3-chloropropanoic acid

>  <PubChem CID>
439771

>  <Formula>
C3H6ClNO2

>  <Molecular Weight>
123.536000

>  <IUPAC Name>
(2S)-2-amino-3-chloropropanoic acid

>  <XlogP>
-2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C(C(C(=O)O)N)Cl

>  <Isomeric SMILES>
C([C@H](C(=O)O)N)Cl

>  <InChI Std. ID>
InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1

>  <InChI Key>
ASBJGPTTYPEMLP-UWTATZPHSA-N

