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Home > Indoles and Oxindole > 835-41-6
835-41-6 | 3-(2-nitrobutyl)-1h-indole
CAS No: 835-41-6 Catalog No: AG004V1W MDL No:
Product Description
Catalog Number:
AG004V1W
Chemical Name:
3-(2-nitrobutyl)-1h-indole
CAS Number:
835-41-6
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
3-(2-nitrobutyl)-1H-indole
InChI:
InChI=1S/C12H14N2O2/c1-2-10(14(15)16)7-9-8-13-12-6-4-3-5-11(9)12/h3-6,8,10,13H,2,7H2,1H3
InChI Key:
CDNXXVYBJAMWAK-UHFFFAOYSA-N
SMILES:
CCC([N+](=O)[O-])Cc1c[nH]c2c1cccc2
NSC Number:
88060
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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