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81777-96-0 | 3-Isoxazolidinone, 5-chloro-2-[(2-chlorophenyl)methyl]-4,4-dimethyl-
CAS No: 81777-96-0 Catalog No: AG005I22 MDL No:
Product Description
Catalog Number:
AG005I22
Chemical Name:
3-Isoxazolidinone, 5-chloro-2-[(2-chlorophenyl)methyl]-4,4-dimethyl-
CAS Number:
81777-96-0
Molecular Formula:
C12H13Cl2NO2
Molecular Weight:
274.1431
IUPAC Name:
5-chloro-2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C12H13Cl2NO2/c1-12(2)10(14)17-15(11(12)16)7-8-5-3-4-6-9(8)13/h3-6,10H,7H2,1-2H3
InChI Key:
WYJKNTLYOUZFMS-UHFFFAOYSA-N
SMILES:
ClC1ON(C(=O)C1(C)C)Cc1ccccc1Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.141g/mol
Monoisotopic Mass:
273.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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