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1052695-59-6 | 2-[2-Chloro-5-(trifluoromethyl)-phenoxy]acetonitrile
CAS No: 1052695-59-6 Catalog No: AG01F8E5 MDL No:
Product Description
Catalog Number:
AG01F8E5
Chemical Name:
2-[2-Chloro-5-(trifluoromethyl)-phenoxy]acetonitrile
CAS Number:
1052695-59-6
Molecular Formula:
C9H5ClF3NO
Molecular Weight:
235.5903
IUPAC Name:
2-[2-chloro-5-(trifluoromethyl)phenoxy]acetonitrile
InChI:
InChI=1S/C9H5ClF3NO/c10-7-2-1-6(9(11,12)13)5-8(7)15-4-3-14/h1-2,5H,4H2
InChI Key:
SQXADAJMZVSGBR-UHFFFAOYSA-N
SMILES:
N#CCOc1cc(ccc1Cl)C(F)(F)F
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.59g/mol
Monoisotopic Mass:
235.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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