Home Other Building Blocks methyl 2-cyano-3,3,3-trifluoropropanoate

methyl 2-cyano-3,3,3-trifluoropropanoate

CAS No.:
97821-47-1
Catalog Number:
AG01BDLF
Molecular Formula:
C5H4F3NO2
Molecular Weight:
167.0860
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Product Description
Catalog Number:
AG01BDLF
Chemical Name:
methyl 2-cyano-3,3,3-trifluoropropanoate
CAS Number:
97821-47-1
Molecular Formula:
C5H4F3NO2
Molecular Weight:
167.0860
MDL Number:
MFCD21950345
IUPAC Name:
methyl 2-cyano-3,3,3-trifluoropropanoate
InChI:
InChI=1S/C5H4F3NO2/c1-11-4(10)3(2-9)5(6,7)8/h3H,1H3
InChI Key:
CZDWOJBOMKIDRZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)C#N
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.087g/mol
Monoisotopic Mass:
167.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties