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101308-47-8 | Benzene, 1,1'-(1-methylethylidene)bis[4-(4-bromobutoxy)-
CAS No: 101308-47-8 Catalog No: AG00047B MDL No:
Product Description
Catalog Number:
AG00047B
Chemical Name:
Benzene, 1,1'-(1-methylethylidene)bis[4-(4-bromobutoxy)-
CAS Number:
101308-47-8
Molecular Formula:
C23H30Br2O2
Molecular Weight:
498.2911
IUPAC Name:
1-(4-bromobutoxy)-4-[2-[4-(4-bromobutoxy)phenyl]propan-2-yl]benzene
InChI:
InChI=1S/C23H30Br2O2/c1-23(2,19-7-11-21(12-8-19)26-17-5-3-15-24)20-9-13-22(14-10-20)27-18-6-4-16-25/h7-14H,3-6,15-18H2,1-2H3
InChI Key:
YWPSBMCRGXUSJU-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc(cc1)C(c1ccc(cc1)OCCCCBr)(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.059g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.299g/mol
Monoisotopic Mass:
496.061g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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