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Home > Bromides > 1443343-02-9
1443343-02-9 | 6-(4-Bromo-3-methyl-phenoxy)hexanenitrile
CAS No: 1443343-02-9 Catalog No: AG01FBOA MDL No:
Product Description
Catalog Number:
AG01FBOA
Chemical Name:
6-(4-Bromo-3-methyl-phenoxy)hexanenitrile
CAS Number:
1443343-02-9
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
IUPAC Name:
6-(4-bromo-3-methylphenoxy)hexanenitrile
InChI:
InChI=1S/C13H16BrNO/c1-11-10-12(6-7-13(11)14)16-9-5-3-2-4-8-15/h6-7,10H,2-5,9H2,1H3
InChI Key:
KXEOOBKJAKYUNM-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1ccc(c(c1)C)Br
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.181g/mol
Monoisotopic Mass:
281.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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