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88735-05-1 | Acetamide, 2-chloro-N-(3-hydroxy-4-oxo-4H-1-benzothiopyran-2-yl)-
CAS No: 88735-05-1 Catalog No: AG0045IO MDL No:
Product Description
Catalog Number:
AG0045IO
Chemical Name:
Acetamide, 2-chloro-N-(3-hydroxy-4-oxo-4H-1-benzothiopyran-2-yl)-
CAS Number:
88735-05-1
Molecular Formula:
C11H8ClNO3S
Molecular Weight:
269.7041
IUPAC Name:
2-chloro-N-(3-hydroxy-4-oxothiochromen-2-yl)acetamide
InChI:
InChI=1S/C11H8ClNO3S/c12-5-8(14)13-11-10(16)9(15)6-3-1-2-4-7(6)17-11/h1-4,16H,5H2,(H,13,14)
InChI Key:
SWWMIZWWUJJOLS-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1sc2ccccc2c(=O)c1O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.991g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.699g/mol
Monoisotopic Mass:
268.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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