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2993-24-0 | 4-Aminophenylsulfurpentafluoride
CAS No: 2993-24-0 Catalog No: AG0033WS MDL No:MFCD01076203
Product Description
Catalog Number:
AG0033WS
Chemical Name:
4-Aminophenylsulfurpentafluoride
CAS Number:
2993-24-0
Molecular Formula:
C6H6F5NS
Molecular Weight:
219.1756
MDL Number:
MFCD01076203
IUPAC Name:
4-(pentafluoro-λ6-sulfanyl)aniline
InChI:
InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H,12H2
InChI Key:
MZGZUHNSMNNSRJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(F)(F)(F)(F)F
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.173g/mol
Monoisotopic Mass:
219.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| 4-Amino-phenyl-sulfur penta-fluoride. | Acta crystallographica. Section E, Structure reports online 20080201 |
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