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CAS No.: 346599-63-1
Name: 4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
Article Data: 14
Molecular Structure:
Molecular Structure of 346599-63-1 (4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one)
Formula: C6H4ClN3O
Molecular Weight: 169.57
Synonyms: 4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one;4-Chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;
Density: 1.549 g/cm3
Boiling Point: 409.626 °C at 760 mmHg
Flash Point: 201.535 °C
PSA: 54.88000
LogP: 0.76260
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Chemistry

Empirical Formula: C6H4ClN3O
Molecular Weight: 169.5685
Nominal Mass: 169 Da
Average Mass: 169.5685 Da
Monoisotopic Mass: 169.004289 Da 
Index of Refraction: 1.618 Molar
Refractivity: 38.372 cm3
Molar Volume: 109.453 cm3
Surface Tension: 67.827 dyne/cm
Density: 1.549 g/cm3
Flash Point: 201.535 °C
Enthalpy of Vaporization: 66.183 kJ/mol
Boiling Point: 409.626 °C at 760 mmHg
Structure of 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one (CAS NO.346599-63-1):
                      
Systematic Name: 4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
SMILES: Clc2ncnc1NC(=O)Cc12 
InChI: InChI=1/C6H4ClN3O/c7-5-3-1-4(11)10-6(3)9-2-8-5/h2H,1H2,(H,8,9,10,11) 
InChIKey: PKKYYNMRPXEIFE-UHFFFAOYAZ
Std. InChI: InChI=1S/C6H4ClN3O/c7-5-3-1-4(11)10-6(3)9-2-8-5/h2H,1H2,(H,8,9,10,11) 
Std. InChIKey: PKKYYNMRPXEIFE-UHFFFAOYSA-N
Product Category of 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one (CAS NO.346599-63-1): Chiral chemicals

Specification

 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one (CAS NO.346599-63-1) also can be called 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-5,7-dihydro- ; Tetrahydropyran-4-yl-carboxylic acid ; and 4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one .