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92-30-8 | 2-(Trifluoromethyl)-Phenothiazine
CAS No: 92-30-8 Catalog No: AG0036R8 MDL No:MFCD00005018
Product Description
Catalog Number:
AG0036R8
Chemical Name:
2-(Trifluoromethyl)-Phenothiazine
CAS Number:
92-30-8
Molecular Formula:
C13H8F3NS
Molecular Weight:
267.2695
MDL Number:
MFCD00005018
IUPAC Name:
2-(trifluoromethyl)-10H-phenothiazine
InChI:
InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H
InChI Key:
RKGYJVASTMCSHZ-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)Nc1c(S2)cccc1)(F)F
EC Number:
202-145-7
UNII:
877S053KX3
NSC Number:
50438
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.269g/mol
Monoisotopic Mass:
267.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Molecular properties of psychopharmacological drugs determining non-competitive inhibition of 5-HT3A receptors. | European journal of medicinal chemistry 20090601 |
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