5-Nitroindole-2-carboxylic Acid - CAS 16730-20-4
Catalog: |
BB012379 |
Product Name: |
5-Nitroindole-2-carboxylic Acid |
CAS: |
16730-20-4 |
Synonyms: |
5-nitro-1H-indole-2-carboxylic acid; 5-nitro-1H-indole-2-carboxylic acid |
IUPAC Name: | 5-nitro-1H-indole-2-carboxylic acid |
Description: | 5-Nitroindole-2-carboxylic Acid (CAS# 16730-20-4) is a useful research chemical. |
Molecular Weight: | 206.15 |
Molecular Formula: | C9H6N2O4 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C=C(N2)C(=O)O |
InChI: | InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13) |
InChI Key: | LHFOJSCXLFKDIR-UHFFFAOYSA-N |
Boiling Point: | 520.834 ℃ at 760 mmHg |
Density: | 1.633 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00236372 |
LogP: | 2.29750 |
GHS Hazard Statement: | H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111620808-A | 2-aldehyde indole compound and preparation method thereof | 20200629 |
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Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.03275668 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 98.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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