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823802-20-6 | 3H-Phenothiazin-3-one, 8-chloro-7-(phenylmethoxy)-
CAS No: 823802-20-6 Catalog No: AG005CWS MDL No:
Product Description
Catalog Number:
AG005CWS
Chemical Name:
3H-Phenothiazin-3-one, 8-chloro-7-(phenylmethoxy)-
CAS Number:
823802-20-6
Molecular Formula:
C19H12ClNO2S
Molecular Weight:
353.8221
IUPAC Name:
8-chloro-7-phenylmethoxyphenothiazin-3-one
InChI:
InChI=1S/C19H12ClNO2S/c20-14-9-16-19(24-18-8-13(22)6-7-15(18)21-16)10-17(14)23-11-12-4-2-1-3-5-12/h1-10H,11H2
InChI Key:
PXKZRLCKWLGAAT-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(c1)sc1c(n2)cc(c(c1)OCc1ccccc1)Cl
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.82g/mol
Monoisotopic Mass:
353.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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