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849106-18-9 | 2-(2-Bromo-5-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole
CAS No: 849106-18-9 Catalog No: AG004LZS MDL No:
Product Description
Catalog Number:
AG004LZS
Chemical Name:
2-(2-Bromo-5-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole
CAS Number:
849106-18-9
Molecular Formula:
C11H11BrClNO
Molecular Weight:
288.5681
IUPAC Name:
2-(2-bromo-5-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C11H11BrClNO/c1-11(2)6-15-10(14-11)8-5-7(13)3-4-9(8)12/h3-5H,6H2,1-2H3
InChI Key:
WZZBFPGFGCRSCK-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1cc(Cl)ccc1Br
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.569g/mol
Monoisotopic Mass:
286.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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