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113660-24-5 | 2(3H)-Benzoxazolone, 6-chloro-3-(2-chloroacetyl)-
CAS No: 113660-24-5 Catalog No: AG00098Y MDL No:
Product Description
Catalog Number:
AG00098Y
Chemical Name:
2(3H)-Benzoxazolone, 6-chloro-3-(2-chloroacetyl)-
CAS Number:
113660-24-5
Molecular Formula:
C9H5Cl2NO3
Molecular Weight:
246.0469
IUPAC Name:
6-chloro-3-(2-chloroacetyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H5Cl2NO3/c10-4-8(13)12-6-2-1-5(11)3-7(6)15-9(12)14/h1-3H,4H2
InChI Key:
LYQJVXUHOSAQJT-UHFFFAOYSA-N
SMILES:
ClCC(=O)n1c(=O)oc2c1ccc(c2)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.965g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.043g/mol
Monoisotopic Mass:
244.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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