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88735-06-2 | Acetamide, 2-chloro-N-(3-methoxy-4-oxo-4H-1-benzothiopyran-2-yl)-
CAS No: 88735-06-2 Catalog No: AG0045IN MDL No:
Product Description
Catalog Number:
AG0045IN
Chemical Name:
Acetamide, 2-chloro-N-(3-methoxy-4-oxo-4H-1-benzothiopyran-2-yl)-
CAS Number:
88735-06-2
Molecular Formula:
C12H10ClNO3S
Molecular Weight:
283.7307
IUPAC Name:
2-chloro-N-(3-methoxy-4-oxothiochromen-2-yl)acetamide
InChI:
InChI=1S/C12H10ClNO3S/c1-17-11-10(16)7-4-2-3-5-8(7)18-12(11)14-9(15)6-13/h2-5H,6H2,1H3,(H,14,15)
InChI Key:
QXCFXWAYPOSRHT-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1sc2ccccc2c(=O)c1OC
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.726g/mol
Monoisotopic Mass:
283.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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