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89733-08-4 | 10H-Phenothiazine-2-carbonitrile, 7-fluoro-
CAS No: 89733-08-4 Catalog No: AG0041HG MDL No:
Product Description
Catalog Number:
AG0041HG
Chemical Name:
10H-Phenothiazine-2-carbonitrile, 7-fluoro-
CAS Number:
89733-08-4
Molecular Formula:
C13H7FN2S
Molecular Weight:
242.2715
IUPAC Name:
7-fluoro-10H-phenothiazine-2-carbonitrile
InChI:
InChI=1S/C13H7FN2S/c14-9-2-3-10-13(6-9)17-12-4-1-8(7-15)5-11(12)16-10/h1-6,16H
InChI Key:
RRTUEWAIAKXKIW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)Nc1c(S2)cc(cc1)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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