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87517-39-3 | Butane, 1,3,3-trifluoro-2-methyl-
CAS No: 87517-39-3 Catalog No: AG004DJQ MDL No:
Product Description
Catalog Number:
AG004DJQ
Chemical Name:
Butane, 1,3,3-trifluoro-2-methyl-
CAS Number:
87517-39-3
Molecular Formula:
C5H9F3
Molecular Weight:
126.1202
IUPAC Name:
1,3,3-trifluoro-2-methylbutane
InChI:
InChI=1S/C5H9F3/c1-4(3-6)5(2,7)8/h4H,3H2,1-2H3
InChI Key:
VOHWNQHJYBLGKO-UHFFFAOYSA-N
SMILES:
FCC(C(F)(F)C)C
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.066g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.122g/mol
Monoisotopic Mass:
126.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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