Methyl 2-(4-oxo-3(4H)-quinazolinyl)benzoate - CAS 51310-21-5
Catalog: |
BB027404 |
Product Name: |
Methyl 2-(4-oxo-3(4H)-quinazolinyl)benzoate |
CAS: |
51310-21-5 |
Synonyms: |
methyl 2-(4-oxoquinazolin-3-yl)benzoate |
IUPAC Name: | methyl 2-(4-oxoquinazolin-3-yl)benzoate |
Description: | Methyl 2-(4-oxo-3(4H)-quinazolinyl)benzoate (CAS# 51310-21-5 ) is a useful research chemical. |
Molecular Weight: | 280.28 |
Molecular Formula: | C16H12N2O3 |
Canonical SMILES: | COC(=O)C1=CC=CC=C1N2C=NC3=CC=CC=C3C2=O |
InChI: | InChI=1S/C16H12N2O3/c1-21-16(20)12-7-3-5-9-14(12)18-10-17-13-8-4-2-6-11(13)15(18)19/h2-10H,1H3 |
InChI Key: | VMPFRXIRCPTOKJ-UHFFFAOYSA-N |
Boiling Point: | 461.3 ℃ at 760 mmHg |
Density: | 1.27 g/cm3 |
LogP: | 2.17230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DD-206778-A1 | Method for producing substituted chinazolin-4-on-3-yl benzoesaures and their esters | 19811201 |
Complexity: | 449 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.08479225 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Related Functional Groups
Quinazolines
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