2-Chloro-7-nitroquinazolin-4(3H)-one - CAS 129112-64-7
Catalog: |
BB044397 |
Product Name: |
2-Chloro-7-nitroquinazolin-4(3H)-one |
CAS: |
129112-64-7 |
Synonyms: |
2-Chloro-7-nitroquinazolin-4(1H)-one; 2-chloro-7-nitro-1H-quinazolin-4-one; 2-Chloro-7-nitro-4(1H)-quinazolinone; 4(3H)-Quinazolinone, 2-chloro-7-nitro- |
IUPAC Name: | 2-chloro-7-nitro-3H-quinazolin-4-one |
Description: | 2-Chloro-7-nitroquinazolin-4(3H)-one (CAS# 129112-64-7 ) is a useful research chemical. |
Molecular Weight: | 225.59 |
Molecular Formula: | C8H4ClN3O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])N=C(NC2=O)Cl |
InChI: | InChI=1S/C8H4ClN3O3/c9-8-10-6-3-4(12(14)15)1-2-5(6)7(13)11-8/h1-3H,(H,10,11,13) |
InChI Key: | AXZHXOUENOJTBD-UHFFFAOYSA-N |
Purity: | ≥ 95 % by HPLC |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 339 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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