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Home > Fluorides > 100234-24-0
100234-24-0 | 1-Butanone, 2,2,3,3,4,4,4-heptafluoro-1-(10H-phenothiazin-10-yl)-
CAS No: 100234-24-0 Catalog No: AG0001BW MDL No:
Product Description
Catalog Number:
AG0001BW
Chemical Name:
1-Butanone, 2,2,3,3,4,4,4-heptafluoro-1-(10H-phenothiazin-10-yl)-
CAS Number:
100234-24-0
Molecular Formula:
C16H8F7NOS
Molecular Weight:
395.2946
IUPAC Name:
2,2,3,3,4,4,4-heptafluoro-1-phenothiazin-10-ylbutan-1-one
InChI:
InChI=1S/C16H8F7NOS/c17-14(18,15(19,20)16(21,22)23)13(25)24-9-5-1-3-7-11(9)26-12-8-4-2-6-10(12)24/h1-8H
InChI Key:
FFKHUXHBGNVBCU-UHFFFAOYSA-N
SMILES:
O=C(C(C(C(F)(F)F)(F)F)(F)F)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.021g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.295g/mol
Monoisotopic Mass:
395.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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