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4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

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Name

4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

EINECS N/A
CAS No. 346599-63-1 Density 1.549 g/cm3
PSA 54.88000 LogP 0.76260
Solubility N/A Melting Point N/A
Formula C6H4ClN3O Boiling Point 409.626 °C at 760 mmHg
Molecular Weight 169.57 Flash Point 201.535 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 346599-63-1 (4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one) Hazard Symbols N/A
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;

Article Data 14

4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one Chemical Properties

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

4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one 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 .

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