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1269291-64-6 | 1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-5-fluoro-, ethyl ester
CAS No: 1269291-64-6 Catalog No: AG000TJ6 MDL No:MFCD17215119
Product Description
Catalog Number:
AG000TJ6
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-5-fluoro-, ethyl ester
CAS Number:
1269291-64-6
Molecular Formula:
C10H15FN2O2
Molecular Weight:
214.2367
MDL Number:
MFCD17215119
IUPAC Name:
ethyl 1-tert-butyl-5-fluoropyrazole-4-carboxylate
InChI:
InChI=1S/C10H15FN2O2/c1-5-15-9(14)7-6-12-13(8(7)11)10(2,3)4/h6H,5H2,1-4H3
InChI Key:
XRLOROKBXLDPFV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1F)C(C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.24g/mol
Monoisotopic Mass:
214.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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