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1378600-57-7 | 3-(2-Chloro-5-fluoro-phenoxy)propanenitrile
CAS No: 1378600-57-7 Catalog No: AG01FAY6 MDL No:
Product Description
Catalog Number:
AG01FAY6
Chemical Name:
3-(2-Chloro-5-fluoro-phenoxy)propanenitrile
CAS Number:
1378600-57-7
Molecular Formula:
C9H7ClFNO
Molecular Weight:
199.6094
IUPAC Name:
3-(2-chloro-5-fluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H7ClFNO/c10-8-3-2-7(11)6-9(8)13-5-1-4-12/h2-3,6H,1,5H2
InChI Key:
BMAYPTYBFIWMOJ-UHFFFAOYSA-N
SMILES:
Fc1cc(OCCC#N)c(cc1)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.609g/mol
Monoisotopic Mass:
199.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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