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1014-93-3 | Benzene, [[(5-bromopentyl)oxy]methyl]-
CAS No: 1014-93-3 Catalog No: AG0004EV MDL No:MFCD02258456
Product Description
Catalog Number:
AG0004EV
Chemical Name:
Benzene, [[(5-bromopentyl)oxy]methyl]-
CAS Number:
1014-93-3
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
MDL Number:
MFCD02258456
IUPAC Name:
5-bromopentoxymethylbenzene
InChI:
InChI=1S/C12H17BrO/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChI Key:
HGUZJKJSYSSVLK-UHFFFAOYSA-N
SMILES:
BrCCCCCOCc1ccccc1
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:
3.4
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