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400-38-4 | Isopropyl Trifluoroacetate
CAS No: 400-38-4 Catalog No: AG003R58 MDL No:MFCD00013566
Product Description
Catalog Number:
AG003R58
Chemical Name:
Isopropyl Trifluoroacetate
CAS Number:
400-38-4
Molecular Formula:
C5H7F3O2
Molecular Weight:
156.1031
MDL Number:
MFCD00013566
IUPAC Name:
propan-2-yl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C5H7F3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3
InChI Key:
ASAXRKSDVDALDT-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(F)(F)F)C
EC Number:
206-922-1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.104g/mol
Monoisotopic Mass:
156.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| A modified HPLC method for the determination of aspartic acid racemization in collagen from human dentin and its comparison with GC. | Journal of separation science 20040301 |
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