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21004-90-0 | 3H-Phenothiazin-3-one, 2,4-dichloro-
CAS No: 21004-90-0 Catalog No: AG002KJS MDL No:
Product Description
Catalog Number:
AG002KJS
Chemical Name:
3H-Phenothiazin-3-one, 2,4-dichloro-
CAS Number:
21004-90-0
Molecular Formula:
C12H5Cl2NOS
Molecular Weight:
282.1452
IUPAC Name:
2,4-dichlorophenothiazin-3-one
InChI:
InChI=1S/C12H5Cl2NOS/c13-6-5-8-12(10(14)11(6)16)17-9-4-2-1-3-7(9)15-8/h1-5H
InChI Key:
YBJVOZCTRKETCN-UHFFFAOYSA-N
SMILES:
O=c1c(Cl)cc2c(c1Cl)sc1c(n2)cccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.947g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.138g/mol
Monoisotopic Mass:
280.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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