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1577-62-4

1577-62-4 | L-Cysteine, N-(trifluoroacetyl)-, methyl ester (9CI)

CAS No: 1577-62-4 Catalog No: AG001PN5 MDL No:MFCD00055581

Product Description

Catalog Number:
AG001PN5
Chemical Name:
L-Cysteine, N-(trifluoroacetyl)-, methyl ester (9CI)
CAS Number:
1577-62-4
Molecular Formula:
C6H8F3NO3S
Molecular Weight:
231.1928
MDL Number:
MFCD00055581
IUPAC Name:
methyl (2R)-3-sulfanyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
InChI:
InChI=1S/C6H8F3NO3S/c1-13-4(11)3(2-14)10-5(12)6(7,8)9/h3,14H,2H2,1H3,(H,10,12)/t3-/m0/s1
InChI Key:
VWGSQMAKRLENER-VKHMYHEASA-N
SMILES:
COC(=O)[C@@H](NC(=O)C(F)(F)F)CS

Properties

Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
231.018g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.189g/mol
Monoisotopic Mass:
231.018g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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