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20751-75-1 | Ethanone, 2-chloro-1-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-
CAS No: 20751-75-1 Catalog No: AG002J3F MDL No:MFCD06655687
Product Description
Catalog Number:
AG002J3F
Chemical Name:
Ethanone, 2-chloro-1-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-
CAS Number:
20751-75-1
Molecular Formula:
C10H10ClNOS
Molecular Weight:
227.7105
MDL Number:
MFCD06655687
IUPAC Name:
2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
InChI:
InChI=1S/C10H10ClNOS/c11-7-10(13)12-5-6-14-9-4-2-1-3-8(9)12/h1-4H,5-7H2
InChI Key:
AYFZGNOUGDUMDS-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCSc2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.706g/mol
Monoisotopic Mass:
227.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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