Home Other Building Blocks 4-ethynyl-2,3,5,6-tetrafluoroaniline

4-ethynyl-2,3,5,6-tetrafluoroaniline

CAS No.:
61794-59-0
Catalog Number:
AG01A33E
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
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Product Description
Catalog Number:
AG01A33E
Chemical Name:
4-ethynyl-2,3,5,6-tetrafluoroaniline
CAS Number:
61794-59-0
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
MDL Number:
MFCD20709982
IUPAC Name:
4-ethynyl-2,3,5,6-tetrafluoroaniline
InChI:
InChI=1S/C8H3F4N/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h1H,13H2
InChI Key:
QJIDXHJAWUUICJ-UHFFFAOYSA-N
SMILES:
C#Cc1c(F)c(F)c(c(c1F)F)N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.113g/mol
Monoisotopic Mass:
189.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties