CAS No.607-69-2,2-CHLORO-4-HYDROXYQUINAZOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	607-69-2
Name:	2-CHLORO-4-HYDROXYQUINAZOLINE
Article Data:	2

Formula:	C₈H₅ClN₂O
Molecular Weight:	180.593
Synonyms:	4(1H)-Quinazolinone,2-chloro- (9CI);2-Chloro-3,4-dihydro-4-oxoquinazoline;2-Chloro-4(1H)-quinazolinone;2-Chloro-4(3H)-quinazolinone;2-Chloro-4-hydroxyquinazoline;2-Chloro-4-quinazolinol;2-Chloroquinazolin-4-one;
Density:	1.5 g/cm³
Melting Point:	218-220℃
Boiling Point:	325.9 °C at 760 mmHg
Flash Point:	150.9 °C
PSA:	46.01000
LogP:	1.98880

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Specification

This chemical is called 4(3H)-Quinazolinone, 2-chloro-, and it can also be named as 2-Chloroquinazolin-4(3H)-one. With the molecular formula of C₈H₅ClN₂O, its molecular weight is 180.59. The CAS registry number of this chemical is 607-69-2.

Other characteristics of the 4(3H)-Quinazolinone, 2-chloro- can be summarised as followings: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.96; (6)ACD/BCF (pH 7.4): 11.96; (7)ACD/KOC (pH 5.5): 205.67; (8)ACD/KOC (pH 7.4): 205.67; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 45.87 cm³; (15)Molar Volume: 120.2 cm³; (16)Polarizability: 18.18×10^-24cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 150.9 °C; (20)Enthalpy of Vaporization: 56.81 kJ/mol; (21)Boiling Point: 325.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000223 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl/C1=N/C(=O)c2ccccc2N1
2.InChI: InChI=1/C8H5ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H,10,11,12)
3.InChIKey: CNGRGEDXKHIFIL-UHFFFAOYAW