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17808-21-8 | Tryptophan, 6-chloro-
CAS No: 17808-21-8 Catalog No: AG0025RB MDL No:MFCD00152036
Product Description
Catalog Number:
AG0025RB
Chemical Name:
Tryptophan, 6-chloro-
CAS Number:
17808-21-8
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
MDL Number:
MFCD00152036
IUPAC Name:
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
InChI Key:
FICLVQOYKYBXFN-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1ccc(c2)Cl)N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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