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81778-60-1 | 3-Isoxazolidinone, 2-[(2-bromo-4-fluorophenyl)methyl]-4,4-dimethyl-
CAS No: 81778-60-1 Catalog No: AG0056TQ MDL No:
Product Description
Catalog Number:
AG0056TQ
Chemical Name:
3-Isoxazolidinone, 2-[(2-bromo-4-fluorophenyl)methyl]-4,4-dimethyl-
CAS Number:
81778-60-1
Molecular Formula:
C12H13BrFNO2
Molecular Weight:
302.1395
IUPAC Name:
2-[(2-bromo-4-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C12H13BrFNO2/c1-12(2)7-17-15(11(12)16)6-8-3-4-9(14)5-10(8)13/h3-5H,6-7H2,1-2H3
InChI Key:
XPXZSOWIHDVVDU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Br)CN1OCC(C1=O)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.143g/mol
Monoisotopic Mass:
301.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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