Home Halogens Boc-5-chloro-DL-tryptophan

Boc-5-chloro-DL-tryptophan

CAS No.:
361576-61-6
Catalog Number:
AG003OFL
Molecular Formula:
C16H19ClN2O4
Molecular Weight:
338.7861
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Product Description
Catalog Number:
AG003OFL
Chemical Name:
Boc-5-chloro-DL-tryptophan
CAS Number:
361576-61-6
Molecular Formula:
C16H19ClN2O4
Molecular Weight:
338.7861
MDL Number:
MFCD09264328
IUPAC Name:
3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-5-4-10(17)7-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)
InChI Key:
PZZXAZAYKCNQAL-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1c[nH]c2c1cc(Cl)cc2)NC(=O)OC(C)(C)C
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.103g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
338.788g/mol
Monoisotopic Mass:
338.103g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties