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845550-79-0 | 1-Bromo-4-n-hexyloxy-3-methoxybenzene
CAS No: 845550-79-0 Catalog No: AG01EXPF MDL No:
Product Description
Catalog Number:
AG01EXPF
Chemical Name:
1-Bromo-4-n-hexyloxy-3-methoxybenzene
CAS Number:
845550-79-0
Molecular Formula:
C13H19BrO2
Molecular Weight:
287.1928
IUPAC Name:
4-bromo-1-hexoxy-2-methoxybenzene
InChI:
InChI=1S/C13H19BrO2/c1-3-4-5-6-9-16-12-8-7-11(14)10-13(12)15-2/h7-8,10H,3-6,9H2,1-2H3
InChI Key:
IQZOOMRDRJKCLN-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1OC)Br
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.197g/mol
Monoisotopic Mass:
286.057g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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