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51795-97-2 | ((6-Bromohexyl);oxy);benzene
CAS No: 51795-97-2 Catalog No: AG003NBQ MDL No:MFCD00039205
Product Description
Catalog Number:
AG003NBQ
Chemical Name:
((6-Bromohexyl);oxy);benzene
CAS Number:
51795-97-2
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
MDL Number:
MFCD00039205
IUPAC Name:
6-bromohexoxybenzene
InChI:
InChI=1S/C12H17BrO/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2
InChI Key:
QOLSAZPSEJXYSH-UHFFFAOYSA-N
SMILES:
BrCCCCCCOc1ccccc1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.171g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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