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113884-54-1 | 3-Isoxazolidinone, 5-[(2-chlorophenyl)methyl]-4,4-dimethyl-
CAS No: 113884-54-1 Catalog No: AG0009ZP MDL No:
Product Description
Catalog Number:
AG0009ZP
Chemical Name:
3-Isoxazolidinone, 5-[(2-chlorophenyl)methyl]-4,4-dimethyl-
CAS Number:
113884-54-1
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
IUPAC Name:
5-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C12H14ClNO2/c1-12(2)10(16-14-11(12)15)7-8-5-3-4-6-9(8)13/h3-6,10H,7H2,1-2H3,(H,14,15)
InChI Key:
GEBGYUJHALCWKJ-UHFFFAOYSA-N
SMILES:
O=C1NOC(C1(C)C)Cc1ccccc1Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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