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Home > Indoles and Oxindole > 179898-72-7
179898-72-7 | 1H-Indole, 2,3-dihydro-3,3-dimethyl-6-nitro-
CAS No: 179898-72-7 Catalog No: AG0027CK MDL No:MFCD07636644
Product Description
Catalog Number:
AG0027CK
Chemical Name:
1H-Indole, 2,3-dihydro-3,3-dimethyl-6-nitro-
CAS Number:
179898-72-7
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD07636644
IUPAC Name:
3,3-dimethyl-6-nitro-1,2-dihydroindole
InChI:
InChI=1S/C10H12N2O2/c1-10(2)6-11-9-5-7(12(13)14)3-4-8(9)10/h3-5,11H,6H2,1-2H3
InChI Key:
OBRVKOVWGSBITQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)NCC2(C)C
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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