CAS No.152536-17-9,6-Quinazolinecarboxylic acid, 4-chloro-, methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	152536-17-9
Name:	6-Quinazolinecarboxylic acid, 4-chloro-, methyl ester
Article Data:	2

Formula:	C₁₀H₇ClN₂O₂
Molecular Weight:	222.631
Synonyms:	4-Chloroquinazoline-6-carboxylicacid methyl ester;
Density:	1.392 g/cm³
Boiling Point:	355.5 °C at 760 mmHg
Flash Point:	168.8 °C
PSA:	52.08000
LogP:	2.06980

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Specification

The CAS register number of Methyl 4-chloroquinazoline-6-carboxylate is 152536-17-9. It also can be called as 6-Quinazolinecarboxylicacid, 4-chloro-, methyl ester and the systematic name about this chemical is methyl 4-chloroquinazoline-6-carboxylate. It belongs to the Chiral chemicals.

Physical properties about Methyl 4-chloroquinazoline-6-carboxylate are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)ACD/BCF (pH 5.5): 10.75; (5)ACD/BCF (pH 7.4): 10.75; (6)ACD/KOC (pH 5.5): 190.54; (7)ACD/KOC (pH 7.4): 190.55; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.08Å²; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 56.94 cm³; (13)Molar Volume: 159.8 cm³; (14)Polarizability: 22.57x10^-24cm³; (15)Surface Tension: 57.4 dyne/cm; (16)Enthalpy of Vaporization: 60.07 kJ/mol; (17)Boiling Point: 355.5 °C at 760 mmHg; (18)Vapour Pressure: 3.11E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc2c(cc1)ncnc2Cl
(2)InChI: InChI=1/C10H7ClN2O2/c1-15-10(14)6-2-3-8-7(4-6)9(11)13-5-12-8/h2-5H,1H3
(3)InChIKey: ZFTPRYBXJRWOHZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H7ClN2O2/c1-15-10(14)6-2-3-8-7(4-6)9(11)13-5-12-8/h2-5H,1H3
(5)Std. InChIKey: ZFTPRYBXJRWOHZ-UHFFFAOYSA-N