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249919-48-0 | Benzene, 4-bromo-1,2-bis[(2-ethylhexyl)oxy]-
CAS No: 249919-48-0 Catalog No: AG002Q3M MDL No:
Product Description
Catalog Number:
AG002Q3M
Chemical Name:
Benzene, 4-bromo-1,2-bis[(2-ethylhexyl)oxy]-
CAS Number:
249919-48-0
Molecular Formula:
C22H37BrO2
Molecular Weight:
413.4320
IUPAC Name:
4-bromo-1,2-bis(2-ethylhexoxy)benzene
InChI:
InChI=1S/C22H37BrO2/c1-5-9-11-18(7-3)16-24-21-14-13-20(23)15-22(21)25-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3
InChI Key:
WUEYJCMVXNCQHU-UHFFFAOYSA-N
SMILES:
CCCCC(COc1cc(Br)ccc1OCC(CCCC)CC)CC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.198g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.44g/mol
Monoisotopic Mass:
412.198g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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