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90311-66-3 | 2(5H)-Oxazolone, 5-bromo-4-(1,1-dimethylethyl)-
CAS No: 90311-66-3 Catalog No: AG006FWJ MDL No:
Product Description
Catalog Number:
AG006FWJ
Chemical Name:
2(5H)-Oxazolone, 5-bromo-4-(1,1-dimethylethyl)-
CAS Number:
90311-66-3
Molecular Formula:
C7H10BrNO2
Molecular Weight:
220.0638
IUPAC Name:
5-bromo-4-tert-butyl-5H-1,3-oxazol-2-one
InChI:
InChI=1S/C7H10BrNO2/c1-7(2,3)4-5(8)11-6(10)9-4/h5H,1-3H3
InChI Key:
XAFUFNOZFSRREB-UHFFFAOYSA-N
SMILES:
BrC1OC(=O)N=C1C(C)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.066g/mol
Monoisotopic Mass:
218.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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