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1443335-40-7 | 5-(3-Bromo-5-fluoro-phenoxy)pentanenitrile
CAS No: 1443335-40-7 Catalog No: AG01FBBW MDL No:
Product Description
Catalog Number:
AG01FBBW
Chemical Name:
5-(3-Bromo-5-fluoro-phenoxy)pentanenitrile
CAS Number:
1443335-40-7
Molecular Formula:
C11H11BrFNO
Molecular Weight:
272.1135
IUPAC Name:
5-(3-bromo-5-fluorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H11BrFNO/c12-9-6-10(13)8-11(7-9)15-5-3-1-2-4-14/h6-8H,1-3,5H2
InChI Key:
HKWLFBWSORYGRD-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1cc(F)cc(c1)Br
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.117g/mol
Monoisotopic Mass:
271.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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