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Home > Indoles and Oxindole > 18711-25-6
18711-25-6 | 1-METHYL-5-NITROINDOLINE
CAS No: 18711-25-6 Catalog No: AG00APTX MDL No:MFCD07437993
Product Description
Catalog Number:
AG00APTX
Chemical Name:
1-METHYL-5-NITROINDOLINE
CAS Number:
18711-25-6
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD07437993
IUPAC Name:
1-methyl-5-nitro-2,3-dihydroindole
InChI:
InChI=1S/C9H10N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-3,6H,4-5H2,1H3
InChI Key:
VNTWOKSFYDNPED-UHFFFAOYSA-N
SMILES:
CN1CCc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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