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1443354-30-0

1443354-30-0 | 6-(3-Bromo-5,6-difluoro-phenoxy)hexanenitrile

CAS No: 1443354-30-0 Catalog No: AG01FAG2 MDL No:

Product Description

Catalog Number:
AG01FAG2
Chemical Name:
6-(3-Bromo-5,6-difluoro-phenoxy)hexanenitrile
CAS Number:
1443354-30-0
Molecular Formula:
C12H12BrF2NO
Molecular Weight:
304.1306
IUPAC Name:
6-(5-bromo-2,3-difluorophenoxy)hexanenitrile
InChI:
InChI=1S/C12H12BrF2NO/c13-9-7-10(14)12(15)11(8-9)17-6-4-2-1-3-5-16/h7-8H,1-4,6H2
InChI Key:
CENAENDCTBBJFA-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1cc(Br)cc(c1F)F

Properties

Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.007g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.135g/mol
Monoisotopic Mass:
303.007g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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