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6-Quinazolinecarboxylicacid, 4-chloro-, methyl ester (152536-17-9)

Identification
Name:6-Quinazolinecarboxylicacid, 4-chloro-, methyl ester
Synonyms:4-Chloroquinazoline-6-carboxylicacid methyl ester; Methyl 4-chloroquinazoline-6-carboxylate
CAS:152536-17-9
Molecular Formula: C10H7 Cl N2 O2
Molecular Weight: 222.62778
InChI: InChI=1/C10H7ClN2O2/c1-15-10(14)6-2-3-8-7(4-6)9(11)13-5-12-8/h2-5H,1H3
Molecular Structure: (C10H7ClN2O2) 4-Chloroquinazoline-6-carboxylicacid methyl ester; Methyl 4-chloroquinazoline-6-carboxylate
Properties
Density:1.392g/cm3
Refractive index:1.631
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

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