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Home > Nitro Compounds > 89258-10-6
89258-10-6 | 2-ACETYL-10-((((4-NITROPHENYL)METHYLENE)HYDRAZINYL)ACETYL)-10H-PHENOTHIAZINE
CAS No: 89258-10-6 Catalog No: AG0041RI MDL No:
Product Description
Catalog Number:
AG0041RI
Chemical Name:
2-ACETYL-10-((((4-NITROPHENYL)METHYLENE)HYDRAZINYL)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
89258-10-6
Molecular Formula:
C23H18N4O4S
Molecular Weight:
446.4784
IUPAC Name:
1-(2-acetylphenothiazin-10-yl)-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]ethanone
InChI:
InChI=1S/C23H18N4O4S/c1-15(28)17-8-11-22-20(12-17)26(19-4-2-3-5-21(19)32-22)23(29)14-25-24-13-16-6-9-18(10-7-16)27(30)31/h2-13,25H,14H2,1H3
InChI Key:
GIIDFPWIXASXRC-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cc(cc2)C(=O)C)CNN=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.105g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.481g/mol
Monoisotopic Mass:
446.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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