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137608-55-0 | 1-Propanone, 1-[4-(2-bromo-3-methoxy-3-methylbutoxy)phenyl]-
CAS No: 137608-55-0 Catalog No: AG0013MH MDL No:
Product Description
Catalog Number:
AG0013MH
Chemical Name:
1-Propanone, 1-[4-(2-bromo-3-methoxy-3-methylbutoxy)phenyl]-
CAS Number:
137608-55-0
Molecular Formula:
C15H21BrO3
Molecular Weight:
329.2294
IUPAC Name:
1-[4-(2-bromo-3-methoxy-3-methylbutoxy)phenyl]propan-1-one
InChI:
InChI=1S/C15H21BrO3/c1-5-13(17)11-6-8-12(9-7-11)19-10-14(16)15(2,3)18-4/h6-9,14H,5,10H2,1-4H3
InChI Key:
YKZMJBWESPNWFE-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1)OCC(C(OC)(C)C)Br
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.234g/mol
Monoisotopic Mass:
328.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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