Home Halogens D-Tryptophan, N-acetyl-5-chloro-, methyl ester

D-Tryptophan, N-acetyl-5-chloro-, methyl ester

CAS No.:
114872-81-0
Catalog Number:
AG000FE4
Molecular Formula:
C14H15ClN2O3
Molecular Weight:
294.7335
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Product Description
Catalog Number:
AG000FE4
Chemical Name:
D-Tryptophan, N-acetyl-5-chloro-, methyl ester
CAS Number:
114872-81-0
Molecular Formula:
C14H15ClN2O3
Molecular Weight:
294.7335
MDL Number:
MFCD12198866
IUPAC Name:
methyl (2R)-2-acetamido-3-(5-chloro-1H-indol-3-yl)propanoate
InChI:
InChI=1S/C14H15ClN2O3/c1-8(18)17-13(14(19)20-2)5-9-7-16-12-4-3-10(15)6-11(9)12/h3-4,6-7,13,16H,5H2,1-2H3,(H,17,18)/t13-/m1/s1
InChI Key:
FJDFDNGWXVHSHD-CYBMUJFWSA-N
SMILES:
COC(=O)[C@@H](Cc1c[nH]c2c1cc(Cl)cc2)NC(=O)C
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
294.077g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
294.735g/mol
Monoisotopic Mass:
294.077g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties