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Home > Indoles and Oxindole > 848047-43-8
848047-43-8 | 1H-Indole, 2,3-dihydro-3,3-dimethyl-5-nitro-
CAS No: 848047-43-8 Catalog No: AG00IDFW MDL No:MFCD17015917
Product Description
Catalog Number:
AG00IDFW
Chemical Name:
1H-Indole, 2,3-dihydro-3,3-dimethyl-5-nitro-
CAS Number:
848047-43-8
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD17015917
IUPAC Name:
3,3-dimethyl-5-nitro-1,2-dihydroindole
InChI:
InChI=1S/C10H12N2O2/c1-10(2)6-11-9-4-3-7(12(13)14)5-8(9)10/h3-5,11H,6H2,1-2H3
InChI Key:
LXTLKHUVYJTEDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C(C)(C)CN2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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