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1035224-53-3 | 1-(3-Trifluoromethyl-benzyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CAS No: 1035224-53-3 Catalog No: AG01FGZ1 MDL No:
Product Description
Catalog Number:
AG01FGZ1
Chemical Name:
1-(3-Trifluoromethyl-benzyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CAS Number:
1035224-53-3
IUPAC Name:
ethyl 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate
InChI:
InChI=1S/C14H13F3N2O2/c1-2-21-13(20)11-7-18-19(9-11)8-10-4-3-5-12(6-10)14(15,16)17/h3-7,9H,2,8H2,1H3
InChI Key:
MUZVVDZDMRMPPL-UHFFFAOYSA-N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.265g/mol
Monoisotopic Mass:
298.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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