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80783-24-0 | 2-Butanone, 1-bromo-4-(4-chlorophenoxy)-3,3-dimethyl-
CAS No: 80783-24-0 Catalog No: AG0051F2 MDL No:
Product Description
Catalog Number:
AG0051F2
Chemical Name:
2-Butanone, 1-bromo-4-(4-chlorophenoxy)-3,3-dimethyl-
CAS Number:
80783-24-0
Molecular Formula:
C12H14BrClO2
Molecular Weight:
305.5954
IUPAC Name:
1-bromo-4-(4-chlorophenoxy)-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C12H14BrClO2/c1-12(2,11(15)7-13)8-16-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3
InChI Key:
LYAOHIFVCBMTRA-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(COc1ccc(cc1)Cl)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.987g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.596g/mol
Monoisotopic Mass:
303.987g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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