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70448-28-1 | 4H-1,4-Benzothiazine, 4-acetyl-
CAS No: 70448-28-1 Catalog No: AG005UN2 MDL No:
Product Description
Catalog Number:
AG005UN2
Chemical Name:
4H-1,4-Benzothiazine, 4-acetyl-
CAS Number:
70448-28-1
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
IUPAC Name:
1-(1,4-benzothiazin-4-yl)ethanone
InChI:
InChI=1S/C10H9NOS/c1-8(12)11-6-7-13-10-5-3-2-4-9(10)11/h2-7H,1H3
InChI Key:
RDBZWCKMICNBNB-UHFFFAOYSA-N
SMILES:
CC(=O)N1C=CSc2c1cccc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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