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288248-48-6 | Methanone, bis[4-(4-bromobutoxy)phenyl]-
CAS No: 288248-48-6 Catalog No: AG002WO4 MDL No:
Product Description
Catalog Number:
AG002WO4
Chemical Name:
Methanone, bis[4-(4-bromobutoxy)phenyl]-
CAS Number:
288248-48-6
Molecular Formula:
C21H24Br2O3
Molecular Weight:
484.2215
IUPAC Name:
bis[4-(4-bromobutoxy)phenyl]methanone
InChI:
InChI=1S/C21H24Br2O3/c22-13-1-3-15-25-19-9-5-17(6-10-19)21(24)18-7-11-20(12-8-18)26-16-4-2-14-23/h5-12H,1-4,13-16H2
InChI Key:
BPDLOXIMVVACDR-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc(cc1)C(=O)c1ccc(cc1)OCCCCBr
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.007g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
484.228g/mol
Monoisotopic Mass:
482.009g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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