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100234-25-1 | Ethanone, 1-(2-chloro-10H-phenothiazin-10-yl)-2,2,2-trifluoro-
CAS No: 100234-25-1 Catalog No: AG0001BV MDL No:
Product Description
Catalog Number:
AG0001BV
Chemical Name:
Ethanone, 1-(2-chloro-10H-phenothiazin-10-yl)-2,2,2-trifluoro-
CAS Number:
100234-25-1
Molecular Formula:
C14H7ClF3NOS
Molecular Weight:
329.7247
IUPAC Name:
1-(2-chlorophenothiazin-10-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C14H7ClF3NOS/c15-8-5-6-12-10(7-8)19(13(20)14(16,17)18)9-3-1-2-4-11(9)21-12/h1-7H
InChI Key:
QCNBLFVPKYXMOQ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)N(c1c(S2)cccc1)C(=O)C(F)(F)F
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.989g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.721g/mol
Monoisotopic Mass:
328.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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