Home Halogens Tryptophan,N-(chloroacetyl)- (9CI)

Tryptophan,N-(chloroacetyl)- (9CI)

CAS No.:
79189-76-7
Catalog Number:
AG005358
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
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Product Description
Catalog Number:
AG005358
Chemical Name:
Tryptophan,N-(chloroacetyl)- (9CI)
CAS Number:
79189-76-7
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
MDL Number:
MFCD00022765
IUPAC Name:
2-[(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H13ClN2O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)
InChI Key:
PGTJUXHMJYBSBW-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.061g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
280.708g/mol
Monoisotopic Mass:
280.061g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties