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Home > Nitro Compounds > 1628-79-1
1628-79-1 | Ethanone, 1-(3,7-dinitro-10H-phenothiazin-10-yl)-
CAS No: 1628-79-1 Catalog No: AG001TFU MDL No:
Product Description
Catalog Number:
AG001TFU
Chemical Name:
Ethanone, 1-(3,7-dinitro-10H-phenothiazin-10-yl)-
CAS Number:
1628-79-1
Molecular Formula:
C14H9N3O5S
Molecular Weight:
331.3034
IUPAC Name:
1-(3,7-dinitrophenothiazin-10-yl)ethanone
InChI:
InChI=1S/C14H9N3O5S/c1-8(18)15-11-4-2-9(16(19)20)6-13(11)23-14-7-10(17(21)22)3-5-12(14)15/h2-7H,1H3
InChI Key:
VUWDHXCPXJCIJQ-UHFFFAOYSA-N
SMILES:
CC(=O)N1c2ccc(cc2Sc2c1ccc(c2)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
95823
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.302g/mol
Monoisotopic Mass:
331.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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