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1443342-49-1 | 5-(3-Bromo-5,6-difluoro-phenoxy)pentanenitrile
CAS No: 1443342-49-1 Catalog No: AG01FA4L MDL No:
Product Description
Catalog Number:
AG01FA4L
Chemical Name:
5-(3-Bromo-5,6-difluoro-phenoxy)pentanenitrile
CAS Number:
1443342-49-1
Molecular Formula:
C11H10BrF2NO
Molecular Weight:
290.1040
IUPAC Name:
5-(5-bromo-2,3-difluorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H10BrF2NO/c12-8-6-9(13)11(14)10(7-8)16-5-3-1-2-4-15/h6-7H,1-3,5H2
InChI Key:
WXAKTCYHLQHISH-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1cc(Br)cc(c1F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.108g/mol
Monoisotopic Mass:
288.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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