Home Halogens methyl 4-chloro-6-(trifluoromethyl)pyrimidine-5-carboxylate

methyl 4-chloro-6-(trifluoromethyl)pyrimidine-5-carboxylate

CAS No.:
1804890-92-3
Catalog Number:
AG01ELBK
Molecular Formula:
C7H4ClF3N2O2
Molecular Weight:
240.5671
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Product Description
Catalog Number:
AG01ELBK
Chemical Name:
methyl 4-chloro-6-(trifluoromethyl)pyrimidine-5-carboxylate
CAS Number:
1804890-92-3
Molecular Formula:
C7H4ClF3N2O2
Molecular Weight:
240.5671
MDL Number:
MFCD31617605
IUPAC Name:
methyl 4-chloro-6-(trifluoromethyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C7H4ClF3N2O2/c1-15-6(14)3-4(7(9,10)11)12-2-13-5(3)8/h2H,1H3
InChI Key:
HPVHGBDGDPIZNO-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)ncnc1C(F)(F)F
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.566g/mol
Monoisotopic Mass:
239.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties