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207863-07-8 | Oxazole, 2-(5-bromo-2-furanyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 207863-07-8 Catalog No: AG002JCQ MDL No:
Product Description
Catalog Number:
AG002JCQ
Chemical Name:
Oxazole, 2-(5-bromo-2-furanyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
207863-07-8
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
IUPAC Name:
2-(5-bromofuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C9H10BrNO2/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6/h3-4H,5H2,1-2H3
InChI Key:
ZKEASIZDEJXFMR-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1ccc(o1)Br
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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