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54247-27-7 | (((6-Bromohexyl)oxy)methyl)benzene
CAS No: 54247-27-7 Catalog No: AG003O3V MDL No:MFCD02258455
Product Description
Catalog Number:
AG003O3V
Chemical Name:
(((6-Bromohexyl)oxy)methyl)benzene
CAS Number:
54247-27-7
Molecular Formula:
C13H19BrO
Molecular Weight:
271.1934
MDL Number:
MFCD02258455
IUPAC Name:
6-bromohexoxymethylbenzene
InChI:
InChI=1S/C13H19BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChI Key:
UHDZRWPKYMHVNV-UHFFFAOYSA-N
SMILES:
BrCCCCCCOCc1ccccc1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.198g/mol
Monoisotopic Mass:
270.062g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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