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22921-72-8 | Benzene, [(5-bromopentyl)oxy]-
CAS No: 22921-72-8 Catalog No: AG002LIF MDL No:MFCD00039203
Product Description
Catalog Number:
AG002LIF
Chemical Name:
Benzene, [(5-bromopentyl)oxy]-
CAS Number:
22921-72-8
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
MDL Number:
MFCD00039203
IUPAC Name:
5-bromopentoxybenzene
InChI:
InChI=1S/C11H15BrO/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChI Key:
WNGRHTGNGQSCTL-UHFFFAOYSA-N
SMILES:
BrCCCCCOc1ccccc1
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.144g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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