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Home > Fluorides > 823189-14-6
823189-14-6 | Benzene, 1-(1-azidoethyl)-3-(trifluoromethyl)-
CAS No: 823189-14-6 Catalog No: AG004ZJG MDL No:
Product Description
Catalog Number:
AG004ZJG
Chemical Name:
Benzene, 1-(1-azidoethyl)-3-(trifluoromethyl)-
CAS Number:
823189-14-6
Molecular Formula:
C9H8F3N3
Molecular Weight:
215.1751
IUPAC Name:
1-(1-azidoethyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8F3N3/c1-6(14-15-13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,1H3
InChI Key:
JHDGMKSGIXTNEQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.179g/mol
Monoisotopic Mass:
215.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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