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130996-04-2 | Benzene, 1,2-dibromo-4,5-bis(pentyloxy)-
CAS No: 130996-04-2 Catalog No: AG000V8E MDL No:
Product Description
Catalog Number:
AG000V8E
Chemical Name:
Benzene, 1,2-dibromo-4,5-bis(pentyloxy)-
CAS Number:
130996-04-2
Molecular Formula:
C16H24Br2O2
Molecular Weight:
408.1686
IUPAC Name:
1,2-dibromo-4,5-dipentoxybenzene
InChI:
InChI=1S/C16H24Br2O2/c1-3-5-7-9-19-15-11-13(17)14(18)12-16(15)20-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChI Key:
IRPMPUAWIYPYGX-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(Br)c(cc1OCCCCC)Br
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.174g/mol
Monoisotopic Mass:
406.014g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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