Home Other Building Blocks CHLOROACETYL-L-TRYPTOPHAN

CHLOROACETYL-L-TRYPTOPHAN

CAS No.:
64709-57-5
Catalog Number:
AG003OT8
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003OT8
Chemical Name:
CHLOROACETYL-L-TRYPTOPHAN
CAS Number:
64709-57-5
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
MDL Number:
MFCD00065977
IUPAC Name:
(2S)-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)/t11-/m0/s1
InChI Key:
PGTJUXHMJYBSBW-NSHDSACASA-N
SMILES:
ClCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
EC Number:
265-029-5
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties