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823802-42-2 | 10H-Phenothiazine, 8-chloro-1-methoxy-
CAS No: 823802-42-2 Catalog No: AG004Y2M MDL No:
Product Description
Catalog Number:
AG004Y2M
Chemical Name:
10H-Phenothiazine, 8-chloro-1-methoxy-
CAS Number:
823802-42-2
Molecular Formula:
C13H10ClNOS
Molecular Weight:
263.7426
IUPAC Name:
8-chloro-1-methoxy-10H-phenothiazine
InChI:
InChI=1S/C13H10ClNOS/c1-16-10-3-2-4-12-13(10)15-9-7-8(14)5-6-11(9)17-12/h2-7,15H,1H3
InChI Key:
OHUBTODMCWQITD-UHFFFAOYSA-N
SMILES:
COc1cccc2c1Nc1cc(Cl)ccc1S2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.739g/mol
Monoisotopic Mass:
263.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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