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Home > Bromides > 1443343-21-2
1443343-21-2 | 6-(3-Bromo-5-fluoro-phenoxy)hexanenitrile
CAS No: 1443343-21-2 Catalog No: AG01FBOC MDL No:
Product Description
Catalog Number:
AG01FBOC
Chemical Name:
6-(3-Bromo-5-fluoro-phenoxy)hexanenitrile
CAS Number:
1443343-21-2
Molecular Formula:
C12H13BrFNO
Molecular Weight:
286.1401
IUPAC Name:
6-(3-bromo-5-fluorophenoxy)hexanenitrile
InChI:
InChI=1S/C12H13BrFNO/c13-10-7-11(14)9-12(8-10)16-6-4-2-1-3-5-15/h7-9H,1-4,6H2
InChI Key:
YGHFHLGVYMJFSN-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1cc(F)cc(c1)Br
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.144g/mol
Monoisotopic Mass:
285.016g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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