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178065-29-7 | Pentanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-4-methyl-, (2S)-
CAS No: 178065-29-7 Catalog No: AG0025R7 MDL No:MFCD03844761
Product Description
Catalog Number:
AG0025R7
Chemical Name:
Pentanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-4-methyl-, (2S)-
CAS Number:
178065-29-7
Molecular Formula:
C12H15FN4O5
Molecular Weight:
314.2697
MDL Number:
MFCD03844761
IUPAC Name:
(2S)-2-(5-fluoro-2,4-dinitroanilino)-4-methylpentanamide
InChI:
InChI=1S/C12H15FN4O5/c1-6(2)3-9(12(14)18)15-8-4-7(13)10(16(19)20)5-11(8)17(21)22/h4-6,9,15H,3H2,1-2H3,(H2,14,18)/t9-/m0/s1
InChI Key:
WCOZOJGXDVGGIK-VIFPVBQESA-N
SMILES:
CC(C[C@@H](C(=O)N)Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
314.103g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.273g/mol
Monoisotopic Mass:
314.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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