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116421-50-2 | Acetamide, 2,2-dichloro-N-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-
CAS No: 116421-50-2 Catalog No: AG000CGO MDL No:
Product Description
Catalog Number:
AG000CGO
Chemical Name:
Acetamide, 2,2-dichloro-N-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-
CAS Number:
116421-50-2
Molecular Formula:
C10H7Cl2NO3
Molecular Weight:
260.0735
IUPAC Name:
2,2-dichloro-N-(3-oxo-1H-2-benzofuran-1-yl)acetamide
InChI:
InChI=1S/C10H7Cl2NO3/c11-7(12)8(14)13-9-5-3-1-2-4-6(5)10(15)16-9/h1-4,7,9H,(H,13,14)
InChI Key:
HVUVRWVYOSDYBZ-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)Cl)NC1OC(=O)c2c1cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.07g/mol
Monoisotopic Mass:
258.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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