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81778-48-5 | 3-Isoxazolidinone, 2-[(4-chlorophenyl)methyl]-4,4-dimethyl-
CAS No: 81778-48-5 Catalog No: AG005I1W MDL No:
Product Description
Catalog Number:
AG005I1W
Chemical Name:
3-Isoxazolidinone, 2-[(4-chlorophenyl)methyl]-4,4-dimethyl-
CAS Number:
81778-48-5
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
IUPAC Name:
2-[(4-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChI Key:
XDJDFJFLEIEKIF-UHFFFAOYSA-N
SMILES:
O=C1N(OCC1(C)C)Cc1ccc(cc1)Cl
Properties
Complexity:
272
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:
0
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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