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306936-98-1 | 1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-, ethyl ester
CAS No: 306936-98-1 Catalog No: AG0030YF MDL No:MFCD01571362
Product Description
Catalog Number:
AG0030YF
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-, ethyl ester
CAS Number:
306936-98-1
Molecular Formula:
C17H21FN2O2
Molecular Weight:
304.3592
MDL Number:
MFCD01571362
IUPAC Name:
ethyl 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate
InChI:
InChI=1S/C17H21FN2O2/c1-5-22-16(21)14-10-15(17(2,3)4)19-20(14)11-12-6-8-13(18)9-7-12/h6-10H,5,11H2,1-4H3
InChI Key:
DOFUMFWPMFWIGO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1Cc1ccc(cc1)F)C(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.159g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.365g/mol
Monoisotopic Mass:
304.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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