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81778-12-3 | 3-Isoxazolidinone, 4,4-dimethyl-2-[(2,4,5-trichlorophenyl)methyl]-
CAS No: 81778-12-3 Catalog No: AG005I1Y MDL No:
Product Description
Catalog Number:
AG005I1Y
Chemical Name:
3-Isoxazolidinone, 4,4-dimethyl-2-[(2,4,5-trichlorophenyl)methyl]-
CAS Number:
81778-12-3
Molecular Formula:
C12H12Cl3NO2
Molecular Weight:
308.5882
IUPAC Name:
4,4-dimethyl-2-[(2,4,5-trichlorophenyl)methyl]-1,2-oxazolidin-3-one
InChI:
InChI=1S/C12H12Cl3NO2/c1-12(2)6-18-16(11(12)17)5-7-3-9(14)10(15)4-8(7)13/h3-4H,5-6H2,1-2H3
InChI Key:
XZRQUDHPTBDXRO-UHFFFAOYSA-N
SMILES:
O=C1N(OCC1(C)C)Cc1cc(Cl)c(cc1Cl)Cl
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.583g/mol
Monoisotopic Mass:
306.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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