7-Chloro-6-nitro-4(3H)quinazolinone - CAS 53449-14-2
Catalog: |
BB028224 |
Product Name: |
7-Chloro-6-nitro-4(3H)quinazolinone |
CAS: |
53449-14-2 |
Synonyms: |
7-chloro-6-nitro-3H-quinazolin-4-one |
IUPAC Name: | 7-chloro-6-nitro-3H-quinazolin-4-one |
Description: | 7-Chloro-6-nitro-4(3H)quinazolinone (CAS# 53449-14-2) is a useful research chemical compound. |
Molecular Weight: | 225.59 |
Molecular Formula: | C8H4ClN3O3 |
Canonical SMILES: | C1=C2C(=CC(=C1[N+](=O)[O-])Cl)N=CNC2=O |
InChI: | InChI=1S/C8H4ClN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13) |
InChI Key: | URDYTQYZXZKBQT-UHFFFAOYSA-N |
Boiling Point: | 509.396 °C at 760 mmHg |
Melting Point: | 314-319 °C |
Purity: | 95 % |
Density: | 1.794 g/cm3 |
MDL: | MFCD07772904 |
LogP: | 2.42020 |
GHS Hazard Statement: | H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110642871-A | Large Stokes displacement deep red fluorescent probe RQNA for copper ion detection and preparation method and application thereof | 20190924 |
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Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9941187 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9941187 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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