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549476-61-1

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Basic Information
CAS No.: 549476-61-1
Name: N-Cyclopropyl 4-Nitrophenylsulfonamide
Article Data: 5
Molecular Structure:
Molecular Structure of 549476-61-1 (N-Cyclopropyl 4-Nitrophenylsulfonamide)
Formula: C9H10N2O4S
Molecular Weight: 242.255
Synonyms: Cyclopropyl[(4-nitrophenyl)sulfonyl]amine;
Density: 1.5 g/cm3
Boiling Point: 418.3 °C at 760 mmHg
Flash Point: 206.8 °C
PSA: 100.37000
LogP: 3.03040
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Specification

The CAS registry number of Benzenesulfonamide,N-cyclopropyl-4-nitro- is 549476-61-1. This chemical is also named as Cyclopropyl[(4-nitrophenyl)sulfonyl]amine. In addition, its molecular formula is C9H10N2O4S and molecular weight is 242.2517. Its systematic name is called N-cyclopropyl-4-nitrobenzenesulfonamide.

Physical properties about Benzenesulfonamide,N-cyclopropyl-4-nitro- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.629; (7)Molar Refractivity: 57.08 cm3; (8)Molar Volume: 160.6 cm3; (9)Surface Tension: 65.6 dyne/cm; (10)Density: 1.5 g/cm3; (11)Flash Point: 206.8 °C; (12)Enthalpy of Vaporization: 67.19 kJ/mol; (13)Boiling Point: 418.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc([N+]([O-])=O)cc1)NC2CC2
(2)InChI: InChI=1/C9H10N2O4S/c12-11(13)8-3-5-9(6-4-8)16(14,15)10-7-1-2-7/h3-7,10H,1-2H2
(3)InChIKey: SFXOKDPLGLHGIX-UHFFFAOYAV