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1355334-94-9 | [3-(4-Nitro-phenyl)-pyrazol-1-yl]-acetic acid tert-butyl ester
CAS No: 1355334-94-9 Catalog No: AG01FGXZ MDL No:
Product Description
Catalog Number:
AG01FGXZ
Chemical Name:
[3-(4-Nitro-phenyl)-pyrazol-1-yl]-acetic acid tert-butyl ester
CAS Number:
1355334-94-9
IUPAC Name:
tert-butyl 2-[3-(4-nitrophenyl)pyrazol-1-yl]acetate
InChI:
InChI=1S/C15H17N3O4/c1-15(2,3)22-14(19)10-17-9-8-13(16-17)11-4-6-12(7-5-11)18(20)21/h4-9H,10H2,1-3H3
InChI Key:
UZKMUGSFHCGVNT-UHFFFAOYSA-N
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.318g/mol
Monoisotopic Mass:
303.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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