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189082-81-3 | L-Alanine, 3-[(S)-(trichloroethenyl)sulfinyl]- (9CI)
CAS No: 189082-81-3 Catalog No: AG002HTP MDL No:
Product Description
Catalog Number:
AG002HTP
Chemical Name:
L-Alanine, 3-[(S)-(trichloroethenyl)sulfinyl]- (9CI)
CAS Number:
189082-81-3
Molecular Formula:
C5H6Cl3NO3S
Molecular Weight:
266.5300
IUPAC Name:
(2R)-2-amino-3-[(S)-1,2,2-trichloroethenylsulfinyl]propanoic acid
InChI:
InChI=1S/C5H6Cl3NO3S/c6-3(7)4(8)13(12)1-2(9)5(10)11/h2H,1,9H2,(H,10,11)/t2-,13-/m0/s1
InChI Key:
ZZLCFAMVXRUXEV-RXKGENHKSA-N
SMILES:
OC(=O)[C@H](C[S@](=O)C(=C(Cl)Cl)Cl)N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
264.913g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.517g/mol
Monoisotopic Mass:
264.913g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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