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1363411-71-5 | Benzenamine, 2,3,5-trifluoro-6-(1-hexyn-1-yl)-4-(trifluoromethyl)-
CAS No: 1363411-71-5 Catalog No: AG0011RW MDL No:
Product Description
Catalog Number:
AG0011RW
Chemical Name:
Benzenamine, 2,3,5-trifluoro-6-(1-hexyn-1-yl)-4-(trifluoromethyl)-
CAS Number:
1363411-71-5
Molecular Formula:
C13H11F6N
Molecular Weight:
295.2236
IUPAC Name:
2,3,5-trifluoro-6-hex-1-ynyl-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H11F6N/c1-2-3-4-5-6-7-9(14)8(13(17,18)19)10(15)11(16)12(7)20/h2-4,20H2,1H3
InChI Key:
KSBLSIZDRFCECT-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1c(N)c(F)c(c(c1F)C(F)(F)F)F
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.228g/mol
Monoisotopic Mass:
295.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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