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13652-07-8

13652-07-8 | Benzene, (1-diazo-2,2,2-trifluoroethyl)-

CAS No: 13652-07-8 Catalog No: AG0011YM MDL No:

Product Description

Catalog Number:
AG0011YM
Chemical Name:
Benzene, (1-diazo-2,2,2-trifluoroethyl)-
CAS Number:
13652-07-8
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
IUPAC Name:
(1-diazo-2,2,2-trifluoroethyl)benzene
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)7(13-12)6-4-2-1-3-5-6/h1-5H
InChI Key:
PFAJYVGLAPJBAG-UHFFFAOYSA-N
SMILES:
FC(C(=[N+]=[N-])c1ccccc1)(F)F

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  

Literature

Title Journal
Enantioenriched synthesis of cyclopropenes with a quaternary stereocenter, versatile building blocks. Journal of the American Chemical Society 20110119
(5,10,15,20-Tetra-phenyl-porphyrinato-κN)(2,2,2-trifluoro-1-phenyl-ethyl-idene-κC)ruthenium(II): a stable fluorinated alkyl-idene complex of a ruthenium(II) porphyrin. Acta crystallographica. Section E, Structure reports online 20080901

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