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1378679-17-4 | 2-(2-Chloro-5-fluoro-phenoxy)acetonitrile
CAS No: 1378679-17-4 Catalog No: AG01FBLN MDL No:
Product Description
Catalog Number:
AG01FBLN
Chemical Name:
2-(2-Chloro-5-fluoro-phenoxy)acetonitrile
CAS Number:
1378679-17-4
Molecular Formula:
C8H5ClFNO
Molecular Weight:
185.5828
IUPAC Name:
2-(2-chloro-5-fluorophenoxy)acetonitrile
InChI:
InChI=1S/C8H5ClFNO/c9-7-2-1-6(10)5-8(7)12-4-3-11/h1-2,5H,4H2
InChI Key:
ONKTVPVNFUQVNU-UHFFFAOYSA-N
SMILES:
Fc1cc(OCC#N)c(cc1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.582g/mol
Monoisotopic Mass:
185.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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