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113732-62-0 | Ethanone, 2-bromo-1-(2,5-dimethyl-4-oxazolyl)-
CAS No: 113732-62-0 Catalog No: AG0009GX MDL No:MFCD11656582
Product Description
Catalog Number:
AG0009GX
Chemical Name:
Ethanone, 2-bromo-1-(2,5-dimethyl-4-oxazolyl)-
CAS Number:
113732-62-0
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
MDL Number:
MFCD11656582
IUPAC Name:
2-bromo-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
InChI:
InChI=1S/C7H8BrNO2/c1-4-7(6(10)3-8)9-5(2)11-4/h3H2,1-2H3
InChI Key:
QTGWJHMRJZSAND-UHFFFAOYSA-N
SMILES:
Cc1oc(nc1C(=O)CBr)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.05g/mol
Monoisotopic Mass:
216.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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