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CAS No.: | 6484-24-8 |
---|---|
Name: | 4-chloro-2-methylquinazoline |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C9H7ClN2 |
Molecular Weight: | 178.621 |
Synonyms: | 4-Chloro-2-methylquinazoline; |
Density: | 1.292 g/cm3 |
Melting Point: | 86-88 °C |
Boiling Point: | 211.2 °C at 760 mmHg |
Flash Point: | 101.3 °C |
PSA: | 25.78000 |
LogP: | 2.59160 |
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The Quinazoline,4-chloro-2-methyl-, with the CAS registry number 6484-24-8, is also known as CID2785421. This chemical's molecular formula is C9H7ClN2 and molecular weight is 178.61828. Its IUPAC name is called 4-chloro-2-methylquinazoline.
Physical properties of Quinazoline,4-chloro-2-methyl-: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.84; (6)ACD/BCF (pH 7.4): 14.84; (7)ACD/KOC (pH 5.5): 239.95; (8)ACD/KOC (pH 7.4): 239.96; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.643; (11)Molar Refractivity: 49.99 cm3; (12)Molar Volume: 138.2 cm3; (13)Surface Tension: 52.9 dyne/cm; (14)Density: 1.292 g/cm3; (15)Flash Point: 101.3 °C; (16)Enthalpy of Vaporization: 42.92 kJ/mol; (17)Boiling Point: 211.2 °C at 760 mmHg; (18)Vapour Pressure: 0.269 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=CC=CC=C2C(=N1)Cl
(2)InChI: InChI=1S/C9H7ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H,1H3
(3)InChIKey: HAAZMOAXEMIBAJ-UHFFFAOYSA-N