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2706-92-5

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Basic Information
CAS No.: 2706-92-5
Name: 6-Chloro-9H-purine-2-sulfonyl fluoride
Molecular Structure:
Molecular Structure of 2706-92-5 (6-Chloro-9H-purine-2-sulfonyl fluoride)
Formula: C5H2 Cl F N4 O2 S
Molecular Weight: 236.614
Synonyms: 1H-Purine-2-sulfonylfluoride, 6-chloro- (9CI); Purine-2-sulfonyl fluoride, 6-chloro- (7CI,8CI); NSC54261
Density: 2.2g/cm3
Melting Point: 205-207 °C(Solv: methanol (67-56-1))
Boiling Point: 383°Cat760mmHg
Flash Point: 185.4°C
PSA: 96.98000
LogP: 1.74530
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Chemistry

Molecular Structure of 6-Chloro-9H-purine-2-sulfonyl fluoride (CAS No.2706-92-5):
 
Molecular Formula: C5H2ClFN4O2S
Molecular Weight: 236.6114
CAS No: 2706-92-5
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 86.12 Å2
Index of Refraction: 1.651
Molar Refractivity: 45.39 cm3
Molar Volume: 124.2 cm3
Surface Tension: 89.8 dyne/cm
Density: 1.904 g/cm3
Flash Point: 353.8 °C
Enthalpy of Vaporization: 93.79 kJ/mol
Boiling Point: 661.4 °C at 760 mmHg
Vapour Pressure: 1.25E-16 mmHg at 25°C
IUPAC Name: 6-Chloro-7H-purine-2-sulfonyl fluoride
Canonical SMILES: C1=NC2=C(N1)C(=NC(=N2)S(=O)(=O)F)Cl
InChI: InChI=1S/C5H2ClFN4O2S/c6-3-2-4(9-1-8-2)11-5(10-3)14(7,12)13/h1H,(H,8,9,
10,11)
InChIKey: QVUAWHQMKAWAFB-UHFFFAOYSA-N

Specification

  6-Chloro-9H-purine-2-sulfonyl fluoride (CAS No.2706-92-5), it also can be called 9H-Purine-2-sulfonyl fluoride, 6-chloro- .