Name: (3,4-DIAMINOPHENYL)(4-FLUORO PHENYL)METHANONE
SKU: 66938-86-1

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Basic Information

Molecular Structure:
CAS No.:	66938-86-1
Name:	(3,4-DIAMINOPHENYL)(4-FLUORO PHENYL)METHANONE
Article Data:	10

Formula:	C₁₃H₁₁FN₂O
Molecular Weight:	230.242
Synonyms:	(3,4-Diaminophenyl) (4-fluorophenyl) ketone;
EINECS:	266-522-8
Density:	1.305 g/cm³
Melting Point:	113-114℃ (methanol )
Boiling Point:	447.4 °C at 760 mmHg
Flash Point:	224.4 °C
PSA:	69.11000
LogP:	3.38350

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Specification

The (3, 4-Diaminophenyl)-(4-fluorophenyl)methanone, with the CAS registry number 66938-86-1, is also known as 3, 4-Diamino-4'-fluorobenzophenone. Its EINECS registry number is 266-522-8. This chemical's molecular formula is C₁₃H₁₁FN₂O and molecular weight is 230.24. What's more, its IUPAC name is (3, 4-Diaminophenyl)-(4-fluorophenyl)methanone.

Physical properties about (3, 4-Diaminophenyl)-(4-fluorophenyl)methanone are: (1)ACD/LogP: 2.41; (2)2.41 ACD/LogD (pH 7.4): 2.41; (3)ACD/BCF (pH 5.5): 39.8; (4)ACD/BCF (pH 7.4): 39.88; (5)ACD/KOC (pH 5.5): 485.95; (6)ACD/KOC (pH 7.4): 486.9; (7)#H bond acceptors: 3; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 23.55 Å²; (11)Index of Refraction: 1.652; (12)Molar Refractivity: 64.51 cm³; (13)Molar Volume: 176.3 cm³; (14)Polarizability: 25.57×10^-24 cm³; (15)Surface Tension: 57.5 dyne/cm; (16)Density: 1.305 g/cm³; (17)Flash Point: 224.4 °C; (18)Enthalpy of Vaporization: 70.57 kJ/mol; (19)Boiling Point: 447.4 °C at 760 mmHg; (20)Vapour Pressure: 3.38E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(C(=O)c1cc(N)c(N)cc1)cc2
(2) InChI: InChI=1/C13H11FN2O/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7H,15-16H2
(3) InChIKey: KHMJNCNXARCUGR-UHFFFAOYAI