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Home > Fluorides > 138471-57-5
138471-57-5 | Tryptophan, N-acetyl-7-fluoro-
CAS No: 138471-57-5 Catalog No: AG00197Q MDL No:
Product Description
Catalog Number:
AG00197Q
Chemical Name:
Tryptophan, N-acetyl-7-fluoro-
CAS Number:
138471-57-5
Molecular Formula:
C13H13FN2O3
Molecular Weight:
264.2523
IUPAC Name:
2-acetamido-3-(7-fluoro-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H13FN2O3/c1-7(17)16-11(13(18)19)5-8-6-15-12-9(8)3-2-4-10(12)14/h2-4,6,11,15H,5H2,1H3,(H,16,17)(H,18,19)
InChI Key:
RWFYCMYJDAYDDT-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2F
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.256g/mol
Monoisotopic Mass:
264.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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