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823802-09-1

823802-09-1 | 10H-Phenothiazine, 1,3,9-trifluoro-

CAS No: 823802-09-1 Catalog No: AG005399 MDL No:

Product Description

Catalog Number:
AG005399
Chemical Name:
10H-Phenothiazine, 1,3,9-trifluoro-
CAS Number:
823802-09-1
Molecular Formula:
C12H6F3NS
Molecular Weight:
253.2429
IUPAC Name:
1,3,9-trifluoro-10H-phenothiazine
InChI:
InChI=1S/C12H6F3NS/c13-6-4-8(15)12-10(5-6)17-9-3-1-2-7(14)11(9)16-12/h1-5,16H
InChI Key:
ZHSAZQKICUBCMX-UHFFFAOYSA-N
SMILES:
Fc1cc2Sc3cccc(c3Nc2c(c1)F)F

Properties

Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.017g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.242g/mol
Monoisotopic Mass:
253.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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