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Home > Bromides > 1443347-89-4
1443347-89-4 | 6-(3-Bromo-6-methoxy-phenoxy)hexanenitrile
CAS No: 1443347-89-4 Catalog No: AG01FBCJ MDL No:
Product Description
Catalog Number:
AG01FBCJ
Chemical Name:
6-(3-Bromo-6-methoxy-phenoxy)hexanenitrile
CAS Number:
1443347-89-4
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
IUPAC Name:
6-(5-bromo-2-methoxyphenoxy)hexanenitrile
InChI:
InChI=1S/C13H16BrNO2/c1-16-12-7-6-11(14)10-13(12)17-9-5-3-2-4-8-15/h6-7,10H,2-5,9H2,1H3
InChI Key:
HRXQKABLYNGBBZ-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1cc(Br)ccc1OC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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