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1342711-20-9 | 4-(3-Chloro-4-fluoro-phenoxy)butanenitrile
CAS No: 1342711-20-9 Catalog No: AG01FB8C MDL No:
Product Description
Catalog Number:
AG01FB8C
Chemical Name:
4-(3-Chloro-4-fluoro-phenoxy)butanenitrile
CAS Number:
1342711-20-9
Molecular Formula:
C10H9ClFNO
Molecular Weight:
213.6360
IUPAC Name:
4-(3-chloro-4-fluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H9ClFNO/c11-9-7-8(3-4-10(9)12)14-6-2-1-5-13/h3-4,7H,1-2,6H2
InChI Key:
KUYMNAPQCPQRSN-UHFFFAOYSA-N
SMILES:
N#CCCCOc1ccc(c(c1)Cl)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.636g/mol
Monoisotopic Mass:
213.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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