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114315-76-3 | Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[4-(bromomethyl)- (9CI)
CAS No: 114315-76-3 Catalog No: AG000B33 MDL No:
Product Description
Catalog Number:
AG000B33
Chemical Name:
Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[4-(bromomethyl)- (9CI)
CAS Number:
114315-76-3
Molecular Formula:
C26H36Br2O2
Molecular Weight:
540.3708
IUPAC Name:
1-(bromomethyl)-4-[12-[4-(bromomethyl)phenoxy]dodecoxy]benzene
InChI:
InChI=1S/C26H36Br2O2/c27-21-23-11-15-25(16-12-23)29-19-9-7-5-3-1-2-4-6-8-10-20-30-26-17-13-24(22-28)14-18-26/h11-18H,1-10,19-22H2
InChI Key:
CTGUXEOJTNKQGM-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)OCCCCCCCCCCCCOc1ccc(cc1)CBr
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.106g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.38g/mol
Monoisotopic Mass:
538.108g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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