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119353-19-4 | 1-Hexyne, 1-[(trifluoromethyl)sulfonyl]-
CAS No: 119353-19-4 Catalog No: AG000INR MDL No:
Product Description
Catalog Number:
AG000INR
Chemical Name:
1-Hexyne, 1-[(trifluoromethyl)sulfonyl]-
CAS Number:
119353-19-4
Molecular Formula:
C7H9F3O2S
Molecular Weight:
214.2054
IUPAC Name:
1-(trifluoromethylsulfonyl)hex-1-yne
InChI:
InChI=1S/C7H9F3O2S/c1-2-3-4-5-6-13(11,12)7(8,9)10/h2-4H2,1H3
InChI Key:
UZDKISUHEORQHJ-UHFFFAOYSA-N
SMILES:
CCCCC#CS(=O)(=O)C(F)(F)F
NSC Number:
627320
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.202g/mol
Monoisotopic Mass:
214.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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