Home Carboxys Methyl 2-(trifluoromethyl);pyrimidine-4-carboxylate

Methyl 2-(trifluoromethyl);pyrimidine-4-carboxylate

CAS No.:
878745-51-8
Catalog Number:
AG003RL7
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
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Product Description
Catalog Number:
AG003RL7
Chemical Name:
Methyl 2-(trifluoromethyl);pyrimidine-4-carboxylate
CAS Number:
878745-51-8
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD05662690
IUPAC Name:
methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate
InChI:
InChI=1S/C7H5F3N2O2/c1-14-5(13)4-2-3-11-6(12-4)7(8,9)10/h2-3H,1H3
InChI Key:
VBFLWQBZJODKRL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(n1)C(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.124g/mol
Monoisotopic Mass:
206.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties