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Home > Indoles and Oxindole > 4771-72-6
4771-72-6 | 1H-Indole, 3-(2-nitropropyl)-
CAS No: 4771-72-6 Catalog No: AG006ZQM MDL No:
Product Description
Catalog Number:
AG006ZQM
Chemical Name:
1H-Indole, 3-(2-nitropropyl)-
CAS Number:
4771-72-6
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
3-(2-nitropropyl)-1H-indole
InChI:
InChI=1S/C11H12N2O2/c1-8(13(14)15)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7-8,12H,6H2,1H3
InChI Key:
YSERFBZUWGDPNX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(Cc1c[nH]c2c1cccc2)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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