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Home > Fluorides > 137816-79-6
137816-79-6 | L-Valine, N-(5-fluoro-2,4-dinitrophenyl)-
CAS No: 137816-79-6 Catalog No: AG0013W1 MDL No:
Product Description
Catalog Number:
AG0013W1
Chemical Name:
L-Valine, N-(5-fluoro-2,4-dinitrophenyl)-
CAS Number:
137816-79-6
Molecular Formula:
C11H12FN3O6
Molecular Weight:
301.2279
IUPAC Name:
(2S)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanoic acid
InChI:
InChI=1S/C11H12FN3O6/c1-5(2)10(11(16)17)13-7-3-6(12)8(14(18)19)4-9(7)15(20)21/h3-5,10,13H,1-2H3,(H,16,17)/t10-/m0/s1
InChI Key:
OJTAPQUPWPQIGA-JTQLQIEISA-N
SMILES:
CC([C@@H](C(=O)O)Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
301.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.23g/mol
Monoisotopic Mass:
301.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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