CAS No.121247-16-3,3-Acetylmethyl-1,2-difluoro-4-nitrobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	121247-16-3
Name:	3-Acetylmethyl-1,2-difluoro-4-nitrobenzene
Article Data:	10

Formula:	C₉H₇F₂NO₃
Molecular Weight:	215.156
Synonyms:	3-Acetylmethyl-1,2-difluoro-4-nitrobenzene;
Density:	1.378 g/cm³
Boiling Point:	283.4 °C at 760 mmHg
Flash Point:	125.196 °C
PSA:	62.89000
LogP:	2.52770

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Specification

The 1-(2,3-Difluoro-6-nitrophenyl)propan-2-one , with cas registry number of 121247-16-3, is also known as 3-Acetylmethyl-1,2-difluoro-4-nitrobenzene . It also has other names including systematic name and IUPAC name which is called the same 1-(2,3-difluoro-6-nitrophenyl)propan-2-one .

Physical properties about this chemical are: (1) ACD/LogP: 1.77 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 1 ; (4) ACD/LogD (pH 7.4): 1 ; (5) ACD/BCF (pH 5.5): 3 ; (6) ACD/BCF (pH 7.4): 3 ; (7) ACD/KOC (pH 5.5): 72 ; (8) ACD/KOC (pH 7.4): 72 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 3 ; (12) Polar Surface Area: 62.89 Å² ; (13) Index of Refraction: 1.514 ; (14) Molar Refractivity: 46.998 cm³ ; (15) Molar Volume: 156.138 cm³ ; (16) Surface Tension: 42.41 dyne/cm ; (17) Density: 1.378 g/cm³ ; (18) Flash Point: 125.196 °C ; (19) Enthalpy of Vaporization: 52.232 kJ/mol ; (20) Boiling Point: 283.4 °C at 760 mmHg ; (21) Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Fc1c(CC(C)=O)c(ccc1F)[N+]([O-])=O;
(2)InChI:InChI=1/C9H7F2NO3/c1-5(13)4-6-8(12(14)15)3-2-7(10)9(6)11/h2-3H,4H2,1H3;
(3)InChIKey:ICTSDDZTPXZWEM-UHFFFAOYAD