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89311-51-3 | L-Tryptophan, 2-chloro-N-(trifluoroacetyl)-
CAS No: 89311-51-3 Catalog No: AG003ZXW MDL No:
Product Description
Catalog Number:
AG003ZXW
Chemical Name:
L-Tryptophan, 2-chloro-N-(trifluoroacetyl)-
CAS Number:
89311-51-3
Molecular Formula:
C13H10ClF3N2O3
Molecular Weight:
334.6783
IUPAC Name:
3-(2-chloro-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
InChI:
InChI=1S/C13H10ClF3N2O3/c14-10-7(6-3-1-2-4-8(6)18-10)5-9(11(20)21)19-12(22)13(15,16)17/h1-4,9,18H,5H2,(H,19,22)(H,20,21)
InChI Key:
KUCNYCVCDHKBLR-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1c(Cl)[nH]c2c1cccc2)NC(=O)C(F)(F)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.033g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
334.679g/mol
Monoisotopic Mass:
334.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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