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15953-11-4 | Acetamide, 2-chloro-N-(2-oxo-2H-1-benzopyran-6-yl)-
CAS No: 15953-11-4 Catalog No: AG001R5G MDL No:
Product Description
Catalog Number:
AG001R5G
Chemical Name:
Acetamide, 2-chloro-N-(2-oxo-2H-1-benzopyran-6-yl)-
CAS Number:
15953-11-4
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
IUPAC Name:
2-chloro-N-(2-oxochromen-6-yl)acetamide
InChI:
InChI=1S/C11H8ClNO3/c12-6-10(14)13-8-2-3-9-7(5-8)1-4-11(15)16-9/h1-5H,6H2,(H,13,14)
InChI Key:
BXXJPVJRLZDHBG-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1ccc2c(c1)ccc(=O)o2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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