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95853-69-3 | 3-(Trifluoromethyl)butyraldehyde, 50 wt. % in toluene
CAS No: 95853-69-3 Catalog No: AG01FH16 MDL No:
Product Description
Catalog Number:
AG01FH16
Chemical Name:
3-(Trifluoromethyl)butyraldehyde, 50 wt. % in toluene
CAS Number:
95853-69-3
IUPAC Name:
4,4,4-trifluoro-3-methylbutanal
InChI:
InChI=1S/C5H7F3O/c1-4(2-3-9)5(6,7)8/h3-4H,2H2,1H3
InChI Key:
XPSIVWGPYKWZDL-UHFFFAOYSA-N
Properties
Complexity:
96.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.105g/mol
Monoisotopic Mass:
140.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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