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1379358-89-0 | 4-(3-Chloro-2-fluoro-phenoxy)butanenitrile
CAS No: 1379358-89-0 Catalog No: AG01FBA4 MDL No:
Product Description
Catalog Number:
AG01FBA4
Chemical Name:
4-(3-Chloro-2-fluoro-phenoxy)butanenitrile
CAS Number:
1379358-89-0
Molecular Formula:
C10H9ClFNO
Molecular Weight:
213.6360
IUPAC Name:
4-(3-chloro-2-fluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H9ClFNO/c11-8-4-3-5-9(10(8)12)14-7-2-1-6-13/h3-5H,1-2,7H2
InChI Key:
XBTYWMGMPNTGRJ-UHFFFAOYSA-N
SMILES:
Fc1c(OCCCC#N)cccc1Cl
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:
2.7
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