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10002-69-4 | 10H-Phenothiazine, 1,3,7,9-tetrachloro-
CAS No: 10002-69-4 Catalog No: AG0000BD MDL No:
Product Description
Catalog Number:
AG0000BD
Chemical Name:
10H-Phenothiazine, 1,3,7,9-tetrachloro-
CAS Number:
10002-69-4
Molecular Formula:
C12H5Cl4NS
Molecular Weight:
337.0518
IUPAC Name:
1,3,7,9-tetrachloro-10H-phenothiazine
InChI:
InChI=1S/C12H5Cl4NS/c13-5-1-7(15)11-9(3-5)18-10-4-6(14)2-8(16)12(10)17-11/h1-4,17H
InChI Key:
XGUBQXUXCYINAQ-UHFFFAOYSA-N
SMILES:
Clc1cc2Sc3cc(Cl)cc(c3Nc2c(c1)Cl)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.887g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.039g/mol
Monoisotopic Mass:
334.89g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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