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55747-72-3 | 3-(2-AMINOETHYL)-5-NITROINDOLE
CAS No: 55747-72-3 Catalog No: AG00D83B MDL No:MFCD00458822
Product Description
Catalog Number:
AG00D83B
Chemical Name:
3-(2-AMINOETHYL)-5-NITROINDOLE
CAS Number:
55747-72-3
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD00458822
IUPAC Name:
2-(5-nitro-1H-indol-3-yl)ethanamine
InChI:
InChI=1S/C10H11N3O2/c11-4-3-7-6-12-10-2-1-8(13(14)15)5-9(7)10/h1-2,5-6,12H,3-4,11H2
InChI Key:
GPZRBKWRRKBOAC-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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