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808112-87-0 | Butanoic acid, 4-[bis[2-[(trifluoroacetyl)amino]ethyl]amino]-4-oxo-
CAS No: 808112-87-0 Catalog No: AG0051EM MDL No:
Product Description
Catalog Number:
AG0051EM
Chemical Name:
Butanoic acid, 4-[bis[2-[(trifluoroacetyl)amino]ethyl]amino]-4-oxo-
CAS Number:
808112-87-0
Molecular Formula:
C12H15F6N3O5
Molecular Weight:
395.2550
IUPAC Name:
4-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C12H15F6N3O5/c13-11(14,15)9(25)19-3-5-21(7(22)1-2-8(23)24)6-4-20-10(26)12(16,17)18/h1-6H2,(H,19,25)(H,20,26)(H,23,24)
InChI Key:
OYDVGPLLVCKJKM-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)N(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
395.258g/mol
Monoisotopic Mass:
395.092g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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