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2069-32-1 | 10H-Phenothiazine, 7-nitro-2-(trifluoromethyl)-
CAS No: 2069-32-1 Catalog No: AG002IRB MDL No:
Product Description
Catalog Number:
AG002IRB
Chemical Name:
10H-Phenothiazine, 7-nitro-2-(trifluoromethyl)-
CAS Number:
2069-32-1
Molecular Formula:
C13H7F3N2O2S
Molecular Weight:
312.2671
IUPAC Name:
7-nitro-2-(trifluoromethyl)-10H-phenothiazine
InChI:
InChI=1S/C13H7F3N2O2S/c14-13(15,16)7-1-4-11-10(5-7)17-9-3-2-8(18(19)20)6-12(9)21-11/h1-6,17H
InChI Key:
LLVCJYBCDMKVPS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)Sc1c(N2)cc(cc1)C(F)(F)F
EC Number:
218-192-1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.018g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.266g/mol
Monoisotopic Mass:
312.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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