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117408-76-1 | Benzene, 1,2,4,5-tetrakis(bromomethyl)-3,6-bis(hexyloxy)-
CAS No: 117408-76-1 Catalog No: AG000EA2 MDL No:
Product Description
Catalog Number:
AG000EA2
Chemical Name:
Benzene, 1,2,4,5-tetrakis(bromomethyl)-3,6-bis(hexyloxy)-
CAS Number:
117408-76-1
Molecular Formula:
C22H34Br4O2
Molecular Weight:
650.1202
IUPAC Name:
1,2,4,5-tetrakis(bromomethyl)-3,6-dihexoxybenzene
InChI:
InChI=1S/C22H34Br4O2/c1-3-5-7-9-11-27-21-17(13-23)19(15-25)22(20(16-26)18(21)14-24)28-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key:
YULCSLCFZAOWNP-UHFFFAOYSA-N
SMILES:
BrCc1c(OCCCCCC)c(CBr)c(c(c1CBr)OCCCCCC)CBr
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
649.925g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
650.128g/mol
Monoisotopic Mass:
645.929g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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