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Home > Indoles and Oxindole > 135531-89-4
135531-89-4 | 4-nitro-1H-indol-5-ol
CAS No: 135531-89-4 Catalog No: AG01B1SJ MDL No:MFCD12924715
Product Description
Catalog Number:
AG01B1SJ
Chemical Name:
4-nitro-1H-indol-5-ol
CAS Number:
135531-89-4
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD12924715
IUPAC Name:
4-nitro-1H-indol-5-ol
InChI:
InChI=1S/C8H6N2O3/c11-7-2-1-6-5(3-4-9-6)8(7)10(12)13/h1-4,9,11H
InChI Key:
RETYFVFLZKTNQL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)ccc2c1cc[nH]2
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:
2
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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