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227302-34-3 | tert-Butyl (5-nitro-1H-indol-1-yl)acetate
CAS No: 227302-34-3 Catalog No: AG01FGMA MDL No:
Product Description
Catalog Number:
AG01FGMA
Chemical Name:
tert-Butyl (5-nitro-1H-indol-1-yl)acetate
CAS Number:
227302-34-3
IUPAC Name:
tert-butyl 2-(5-nitroindol-1-yl)acetate
InChI:
InChI=1S/C14H16N2O4/c1-14(2,3)20-13(17)9-15-7-6-10-8-11(16(18)19)4-5-12(10)15/h4-8H,9H2,1-3H3
InChI Key:
XGXUULSOOJBXBW-UHFFFAOYSA-N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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