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210834-64-3 | Benzene, 4-bromo-1,2-bis(dodecyloxy)-
CAS No: 210834-64-3 Catalog No: AG002KZW MDL No:
Product Description
Catalog Number:
AG002KZW
Chemical Name:
Benzene, 4-bromo-1,2-bis(dodecyloxy)-
CAS Number:
210834-64-3
Molecular Formula:
C30H53BrO2
Molecular Weight:
525.6446
IUPAC Name:
4-bromo-1,2-didodecoxybenzene
InChI:
InChI=1S/C30H53BrO2/c1-3-5-7-9-11-13-15-17-19-21-25-32-29-24-23-28(31)27-30(29)33-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27H,3-22,25-26H2,1-2H3
InChI Key:
DVWCBOHUJKVXAT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(Br)ccc1OCCCCCCCCCCCC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.323g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
525.656g/mol
Monoisotopic Mass:
524.323g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
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