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146139-17-5 | 3H-Phenothiazin-3-one, 1,2,4-trichloro-7-methyl-9-nitro-
CAS No: 146139-17-5 Catalog No: AG001DQQ MDL No:
Product Description
Catalog Number:
AG001DQQ
Chemical Name:
3H-Phenothiazin-3-one, 1,2,4-trichloro-7-methyl-9-nitro-
CAS Number:
146139-17-5
Molecular Formula:
C13H5Cl3N2O3S
Molecular Weight:
375.6144
IUPAC Name:
1,2,4-trichloro-7-methyl-9-nitrophenothiazin-3-one
InChI:
InChI=1S/C13H5Cl3N2O3S/c1-4-2-5(18(20)21)10-6(3-4)22-13-9(16)12(19)8(15)7(14)11(13)17-10/h2-3H,1H3
InChI Key:
YFNJVYHQCURVGX-UHFFFAOYSA-N
SMILES:
Cc1cc2sc3c(nc2c(c1)[N+](=O)[O-])c(Cl)c(c(=O)c3Cl)Cl
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.909g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.604g/mol
Monoisotopic Mass:
373.909g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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