Home Other Building Blocks 2,4,5-trifluorobenzoyl cyanide

2,4,5-trifluorobenzoyl cyanide

CAS No.:
2091697-40-2
Catalog Number:
AG01DW6Z
Molecular Formula:
C8H2F3NO
Molecular Weight:
185.1028
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Product Description
Catalog Number:
AG01DW6Z
Chemical Name:
2,4,5-trifluorobenzoyl cyanide
CAS Number:
2091697-40-2
Molecular Formula:
C8H2F3NO
Molecular Weight:
185.1028
MDL Number:
MFCD31616232
IUPAC Name:
2,4,5-trifluorobenzoyl cyanide
InChI:
InChI=1S/C8H2F3NO/c9-5-2-7(11)6(10)1-4(5)8(13)3-12/h1-2H
InChI Key:
JALNONZLPOOQBV-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1cc(F)c(cc1F)F
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.009g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.105g/mol
Monoisotopic Mass:
185.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties