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1443302-94-0

1443302-94-0 | 4-[2-Chloro-5-(trifluoromethyl)-phenoxy]butanenitrile

CAS No: 1443302-94-0 Catalog No: AG01F8AN MDL No:

Product Description

Catalog Number:
AG01F8AN
Chemical Name:
4-[2-Chloro-5-(trifluoromethyl)-phenoxy]butanenitrile
CAS Number:
1443302-94-0
Molecular Formula:
C11H9ClF3NO
Molecular Weight:
263.6435
IUPAC Name:
4-[2-chloro-5-(trifluoromethyl)phenoxy]butanenitrile
InChI:
InChI=1S/C11H9ClF3NO/c12-9-4-3-8(11(13,14)15)7-10(9)17-6-2-1-5-16/h3-4,7H,1-2,6H2
InChI Key:
OQBGBPWXIVJIIQ-UHFFFAOYSA-N
SMILES:
N#CCCCOc1cc(ccc1Cl)C(F)(F)F

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.032g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.644g/mol
Monoisotopic Mass:
263.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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