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1260243-50-2 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-7-(trifluoromethyl)-, ethyl ester
CAS No: 1260243-50-2 Catalog No: AG000QRX MDL No:
Product Description
Catalog Number:
AG000QRX
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-7-(trifluoromethyl)-, ethyl ester
CAS Number:
1260243-50-2
Molecular Formula:
C10H7ClF3N3O2
Molecular Weight:
293.6297
IUPAC Name:
ethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C10H7ClF3N3O2/c1-2-19-9(18)5-4-15-17-6(10(12,13)14)3-7(11)16-8(5)17/h3-4H,2H2,1H3
InChI Key:
GYTCQPKLGVQZKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn2c1nc(Cl)cc2C(F)(F)F
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.63g/mol
Monoisotopic Mass:
293.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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