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89046-44-6 | Ethanone, 1-(2-chloro-10H-phenothiazin-1-yl)-
CAS No: 89046-44-6 Catalog No: AG004328 MDL No:
Product Description
Catalog Number:
AG004328
Chemical Name:
Ethanone, 1-(2-chloro-10H-phenothiazin-1-yl)-
CAS Number:
89046-44-6
Molecular Formula:
C14H10ClNOS
Molecular Weight:
275.7533
IUPAC Name:
1-(2-chloro-10H-phenothiazin-1-yl)ethanone
InChI:
InChI=1S/C14H10ClNOS/c1-8(17)13-9(15)6-7-12-14(13)16-10-4-2-3-5-11(10)18-12/h2-7,16H,1H3
InChI Key:
XCFSDCNMKJXNRL-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(Cl)ccc2c1Nc1ccccc1S2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.75g/mol
Monoisotopic Mass:
275.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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