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175137-31-2 | 5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, cyclopropylmethyl ester
CAS No: 175137-31-2 Catalog No: AG0020AQ MDL No:
Product Description
Catalog Number:
AG0020AQ
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, cyclopropylmethyl ester
CAS Number:
175137-31-2
Molecular Formula:
C10H8ClF3N2O2
Molecular Weight:
280.6309
IUPAC Name:
cyclopropylmethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C10H8ClF3N2O2/c11-9-15-3-6(7(16-9)10(12,13)14)8(17)18-4-5-1-2-5/h3,5H,1-2,4H2
InChI Key:
VAQJVLCEIMTYHZ-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)C(F)(F)F)C(=O)OCC1CC1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.631g/mol
Monoisotopic Mass:
280.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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