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14118-06-0 | 3H-Phenothiazin-3-one, 1,2,4-trichloro-
CAS No: 14118-06-0 Catalog No: AG001G12 MDL No:
Product Description
Catalog Number:
AG001G12
Chemical Name:
3H-Phenothiazin-3-one, 1,2,4-trichloro-
CAS Number:
14118-06-0
Molecular Formula:
C12H4Cl3NOS
Molecular Weight:
316.5903
IUPAC Name:
1,2,4-trichlorophenothiazin-3-one
InChI:
InChI=1S/C12H4Cl3NOS/c13-7-8(14)11(17)9(15)12-10(7)16-5-3-1-2-4-6(5)18-12/h1-4H
InChI Key:
ORQOVBLROKWFDO-UHFFFAOYSA-N
SMILES:
Clc1c2nc3ccccc3sc2c(c(=O)c1Cl)Cl
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.908g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.58g/mol
Monoisotopic Mass:
314.908g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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