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746671-60-3

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Basic Information
CAS No.: 746671-60-3
Name: 6-Chloro-3H-pyrido[2,3-d]pyrimidin-4-one
Molecular Structure:
Molecular Structure of 746671-60-3 (6-Chloro-3H-pyrido[2,3-d]pyrimidin-4-one)
Formula: C7H4ClN3O
Molecular Weight: 181.58
Synonyms: 2-Chloropyrido[2,3-d]pyrimidin-4(1H)-one;
Density: 1.598 g/cm3
Boiling Point: 325.8 °C at 760 mmHg
Flash Point: 150.8 °C
PSA: 0.00000
LogP: 0.00000
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  • 6-CHLORO-1H,4H-PYRIDO[2,3-D]PYRIMIDIN-4-ONE

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Specification

The Pyrido[2, 3-d]pyrimidin-4(1H)-one, 6-chloro- has CAS registry number 746671-60-3. This chemical's molecular formula is C7H4ClN3O and molecular weight is 181.58. What's more, its systematic name is 2-Chloropyrido[2, 3-d]pyrimidin-4(1H)-one.

Physical properties about Pyrido[2, 3-d]pyrimidin-4(1H)-one, 6-chloro- are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 58.9 Å2; (7)Index of Refraction: 1.725; (8)Molar Refractivity: 45.14 cm3; (9)Molar Volume: 113.6 cm3; (10)Polarizability: 17.89×10-24 cm3; (11)Surface Tension: 84.5 dyne/cm; (12)Density: 1.598 g/cm3; (13)Flash Point: 150.8 °C; (14)Enthalpy of Vaporization: 59.05 kJ/mol; (15)Boiling Point: 325.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000118 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc2nc(Cl)nc1ncccc12
(2) InChI: InChI=1/C7H4ClN3O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H,(H,9,10,11,12)
(3) InChIKey: DVTKOFMIBKSVCJ-UHFFFAOYAQ