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100596-88-1 | Cysteine, S-(1,2-dichloroethenyl)-2-methyl-
CAS No: 100596-88-1 Catalog No: AG0002F3 MDL No:
Product Description
Catalog Number:
AG0002F3
Chemical Name:
Cysteine, S-(1,2-dichloroethenyl)-2-methyl-
CAS Number:
100596-88-1
Molecular Formula:
C6H9Cl2NO2S
Molecular Weight:
230.1122
IUPAC Name:
2-amino-3-(1,2-dichloroethenylsulfanyl)-2-methylpropanoic acid
InChI:
InChI=1S/C6H9Cl2NO2S/c1-6(9,5(10)11)3-12-4(8)2-7/h2H,3,9H2,1H3,(H,10,11)
InChI Key:
VXGAWRCLSXRCTR-UHFFFAOYSA-N
SMILES:
C[C@@](C(=O)O)(CSC(=CCl)Cl)N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.973g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.103g/mol
Monoisotopic Mass:
228.973g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.9
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