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1691862-00-6 | 5-nitro-3-propyl-2,3-dihydro-1H-indole
CAS No: 1691862-00-6 Catalog No: AG01BP5W MDL No:MFCD30499911
Product Description
Catalog Number:
AG01BP5W
Chemical Name:
5-nitro-3-propyl-2,3-dihydro-1H-indole
CAS Number:
1691862-00-6
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD30499911
IUPAC Name:
5-nitro-3-propyl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C11H14N2O2/c1-2-3-8-7-12-11-5-4-9(13(14)15)6-10(8)11/h4-6,8,12H,2-3,7H2,1H3
InChI Key:
ZWZKSYVPXWDJDI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2C(CCC)CNc2cc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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