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Home> Encyclopedia > Hot Product Listed 5   > 5-Chloro-2-hydroxy-pyrimidine
15756-76-0 structure

5-Chloro-2-hydroxy-pyrimidine

CAS No.:15756-76-0
EINECS(EC#): 262-216-3
Molecular Weight:66.932738
Molecular Formula:C12H14CL2N2O (isomer)
Properties
Density
0.969
Flash Point
157°C
Safety and Handling
Specification

The 5-Chloro-2-pyrimidinol with the cas number 214290-50-3 is also called 2-Pyrimidinol,5-chloro-. The systematic name is 5-chloropyrimidin-2(1H)-one. Its molecular formula is C4H3ClN2O. The product category is pyrimidine.

The properties of the chemical are: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -1.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.98; (8)ACD/KOC (pH 7.4): 3.94; (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: 1.632; (14)Molar Refractivity: 29.98 cm3; (15)Molar Volume: 84 cm3; (16)Polarizability: 11.88×10-24cm3; (17)Surface Tension: 54.1 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC=1\C=N/C(=O)NC=1
(2)InChI: InChI=1/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
(3)InChIKey: OCSYCDVQABSEPJ-UHFFFAOYAA

Computational chemical data
  • Molecular Weight:66.932738g/mol
  • Molecular Formula:C12H14CL2N2O
  • Exact Mass:66.932738
  • Monoisotopic Mass:66.932738
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:1
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:1
  • Covalently-Bonded Unit Count:1
 
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