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6632-11-7 | 1-(2-acetylphenothiazin-10-yl)ethanone
CAS No: 6632-11-7 Catalog No: AG00FIBA MDL No:
Product Description
Catalog Number:
AG00FIBA
Chemical Name:
1-(2-acetylphenothiazin-10-yl)ethanone
CAS Number:
6632-11-7
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
1-(10-acetylphenothiazin-2-yl)ethanone
InChI:
InChI=1S/C16H13NO2S/c1-10(18)12-7-8-16-14(9-12)17(11(2)19)13-5-3-4-6-15(13)20-16/h3-9H,1-2H3
InChI Key:
JZADVKPETZDDHU-UHFFFAOYSA-N
SMILES:
CC(=O)N1c2cc(ccc2Sc2c1cccc2)C(=O)C
EC Number:
229-628-5
NSC Number:
57971
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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