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Home > Fluorides > 131490-35-2
131490-35-2 | L-Tryptophan, 6-(difluoromethyl)-
CAS No: 131490-35-2 Catalog No: AG000WAV MDL No:
Product Description
Catalog Number:
AG000WAV
Chemical Name:
L-Tryptophan, 6-(difluoromethyl)-
CAS Number:
131490-35-2
Molecular Formula:
C12H12F2N2O2
Molecular Weight:
254.2327
IUPAC Name:
(2S)-2-amino-3-[6-(difluoromethyl)-1H-indol-3-yl]propanoic acid
InChI:
InChI=1S/C12H12F2N2O2/c13-11(14)6-1-2-8-7(3-9(15)12(17)18)5-16-10(8)4-6/h1-2,4-5,9,11,16H,3,15H2,(H,17,18)/t9-/m0/s1
InChI Key:
QKEFAXHAMIYOLM-VIFPVBQESA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1ccc(c2)C(F)F)N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
254.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.237g/mol
Monoisotopic Mass:
254.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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