CAS No.179552-73-9,7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	179552-73-9
Name:	7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine
Article Data:	8

Formula:	C₁₄H₇Cl₂FN₄O₂
Molecular Weight:	353.14
Synonyms:	7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitro-4-quinazolinamine;
EINECS:	810-185-7
Density:	1.635 g/cm³
Boiling Point:	503.298 °C at 760 mmHg
Flash Point:	258.186 °C
PSA:	83.63000
LogP:	5.32370

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Specification

The 7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine, with the CAS registry number 179552-73-9, is also known as 4-Quinazolinamine, 7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitro-. This chemical's molecular formula is C₁₄H₇Cl₂FN₄O₂ and molecular weight is 353.14. What's more, its systematic name is 7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitro-4-quinazolinamine.

Physical properties of 7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1102.41; (6)ACD/BCF (pH 7.4): 1514.26; (7)ACD/KOC (pH 5.5): 4781.20; (8)ACD/KOC (pH 7.4): 6567.43; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.63 Å²; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 85.982 cm³; (15)Molar Volume: 215.99 cm³; (16)Polarizability: 34.086×10^-24cm³; (17)Surface Tension: 71.1 dyne/cm; (18)Density: 1.635 g/cm³; (19)Flash Point: 258.186 °C; (20)Enthalpy of Vaporization: 77.251 kJ/mol; (21)Boiling Point: 503.298 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1Cl)Nc3ncnc2cc(Cl)c(cc23)N(=O)=O
(2)Std. InChI: InChI=1S/C14H7Cl2FN4O2/c15-9-3-7(1-2-11(9)17)20-14-8-4-13(21(22)23)10(16)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
(3)Std. InChIKey: ALJPGKSDBZFNBR-UHFFFAOYSA-N