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Home > Nitro Compounds > 136776-23-3
136776-23-3 | Ethanone, 2-(3-nitrophenoxy)-1-(10H-phenothiazin-10-yl)-
CAS No: 136776-23-3 Catalog No: AG0012C0 MDL No:
Product Description
Catalog Number:
AG0012C0
Chemical Name:
Ethanone, 2-(3-nitrophenoxy)-1-(10H-phenothiazin-10-yl)-
CAS Number:
136776-23-3
Molecular Formula:
C20H14N2O4S
Molecular Weight:
378.4012
IUPAC Name:
2-(3-nitrophenoxy)-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C20H14N2O4S/c23-20(13-26-15-7-5-6-14(12-15)22(24)25)21-16-8-1-3-10-18(16)27-19-11-4-2-9-17(19)21/h1-12H,13H2
InChI Key:
AATLZPBHDMAZLG-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)COc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.067g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.402g/mol
Monoisotopic Mass:
378.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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