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Home > Indoles and Oxindole > 354807-12-8
354807-12-8 | 1H-Indole, 1-hydroxy-6-nitro-
CAS No: 354807-12-8 Catalog No: AG007BU3 MDL No:
Product Description
Catalog Number:
AG007BU3
Chemical Name:
1H-Indole, 1-hydroxy-6-nitro-
CAS Number:
354807-12-8
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
1-hydroxy-6-nitroindole
InChI:
InChI=1S/C8H6N2O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-5,11H
InChI Key:
NBAJPRMVNCZICU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(O)cc2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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