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126637-65-8 | L-Cysteine, S-(2,2-dibromo-1,1-difluoroethyl)-
CAS No: 126637-65-8 Catalog No: AG000T0V MDL No:
Product Description
Catalog Number:
AG000T0V
Chemical Name:
L-Cysteine, S-(2,2-dibromo-1,1-difluoroethyl)-
CAS Number:
126637-65-8
Molecular Formula:
C5H7Br2F2NO2S
Molecular Weight:
342.9844
IUPAC Name:
(2R)-2-amino-3-(2,2-dibromo-1,1-difluoroethyl)sulfanylpropanoic acid
InChI:
InChI=1S/C5H7Br2F2NO2S/c6-4(7)5(8,9)13-1-2(10)3(11)12/h2,4H,1,10H2,(H,11,12)/t2-/m0/s1
InChI Key:
XWMHGYJFIBTLLW-REOHCLBHSA-N
SMILES:
N[C@H](C(=O)O)CSC(C(Br)Br)(F)F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
342.851g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.981g/mol
Monoisotopic Mass:
340.853g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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