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94911-39-4 | 10H-Phenothiazine, 3-(octyloxy)-
CAS No: 94911-39-4 Catalog No: AG005U2I MDL No:
Product Description
Catalog Number:
AG005U2I
Chemical Name:
10H-Phenothiazine, 3-(octyloxy)-
CAS Number:
94911-39-4
Molecular Formula:
C20H25NOS
Molecular Weight:
327.4836
IUPAC Name:
3-octoxy-10H-phenothiazine
InChI:
InChI=1S/C20H25NOS/c1-2-3-4-5-6-9-14-22-16-12-13-18-20(15-16)23-19-11-8-7-10-17(19)21-18/h7-8,10-13,15,21H,2-6,9,14H2,1H3
InChI Key:
VHYQTFGXXXKWKM-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc2c(c1)Sc1c(N2)cccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.166g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.486g/mol
Monoisotopic Mass:
327.166g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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