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1000527-45-6

1000527-45-6 | Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]-

CAS No: 1000527-45-6 Catalog No: AG0000OQ MDL No:

Product Description

Catalog Number:
AG0000OQ
Chemical Name:
Benzeneacetonitrile, 4-[(1,2,2-trifluoroethenyl)oxy]-
CAS Number:
1000527-45-6
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
IUPAC Name:
2-[4-(1,2,2-trifluoroethenoxy)phenyl]acetonitrile
InChI:
InChI=1S/C10H6F3NO/c11-9(12)10(13)15-8-3-1-7(2-4-8)5-6-14/h1-4H,5H2
InChI Key:
QLBBALPYGFGRAD-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OC(=C(F)F)F

Properties

Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.159g/mol
Monoisotopic Mass:
213.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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