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88348-08-7 | Acetic acid, trifluoro-, 2-methyl-4-[(trifluoroacetyl)amino]butyl ester
CAS No: 88348-08-7 Catalog No: AG00479X MDL No:
Product Description
Catalog Number:
AG00479X
Chemical Name:
Acetic acid, trifluoro-, 2-methyl-4-[(trifluoroacetyl)amino]butyl ester
CAS Number:
88348-08-7
Molecular Formula:
C9H11F6NO3
Molecular Weight:
295.1790
IUPAC Name:
[2-methyl-4-[(2,2,2-trifluoroacetyl)amino]butyl] 2,2,2-trifluoroacetate
InChI:
InChI=1S/C9H11F6NO3/c1-5(4-19-7(18)9(13,14)15)2-3-16-6(17)8(10,11)12/h5H,2-4H2,1H3,(H,16,17)
InChI Key:
GPDUXRPRZOJWBJ-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.181g/mol
Monoisotopic Mass:
295.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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