6-Nitro-1H-indole-3-carbaldehyde - CAS 10553-13-6
Catalog: |
BB046738 |
Product Name: |
6-Nitro-1H-indole-3-carbaldehyde |
CAS: |
10553-13-6 |
Synonyms: |
6-nitroindole-3-carboxaldehyde; 6-Nitro-3-indolecarbaldehyde; 1H-Indole-3-carboxaldehyde, 6-nitro- |
IUPAC Name: | 6-nitro-1H-indole-3-carbaldehyde |
Description: | 6-Nitro-1H-indole-3-carbaldehyde (CAS# 10553-13-6 ) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])NC=C2C=O |
InChI: | InChI=1S/C9H6N2O3/c12-5-6-4-10-9-3-7(11(13)14)1-2-8(6)9/h1-5,10H |
InChI Key: | KYFZSGBVGJNEPN-UHFFFAOYSA-N |
Boiling Point: | 441.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.516 g/cm3 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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