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1152534-11-6

1152534-11-6 | 4-(4-Bromo-2-fluoro-phenoxy)butanenitrile

CAS No: 1152534-11-6 Catalog No: AG01FBGS MDL No:

Product Description

Catalog Number:
AG01FBGS
Chemical Name:
4-(4-Bromo-2-fluoro-phenoxy)butanenitrile
CAS Number:
1152534-11-6
Molecular Formula:
C10H9BrFNO
Molecular Weight:
258.0870
IUPAC Name:
4-(4-bromo-2-fluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H9BrFNO/c11-8-3-4-10(9(12)7-8)14-6-2-1-5-13/h3-4,7H,1-2,6H2
InChI Key:
NGJWIWPPFHQTJX-UHFFFAOYSA-N
SMILES:
N#CCCCOc1ccc(cc1F)Br

Properties

Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.985g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.09g/mol
Monoisotopic Mass:
256.985g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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