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18238-55-6

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Basic Information
CAS No.: 18238-55-6
Name: 7,7-Difluorobicyclo[4.1.0]hepta-1(6),2,4-triene
Molecular Structure:
Molecular Structure of 18238-55-6 (7,7-Difluorobicyclo[4.1.0]hepta-1(6),2,4-triene)
Formula: C7H4F2
Molecular Weight: 126.1035
Synonyms: 1,3,5-Norcaratriene,7,7-difluoro- (8CI);1,1-Difluorobenzocyclopropene;1,1-Difluorocyclopropabenzene;7,7-Difluoro-1,3,5-norcaratriene;7,7-Difluorobenzocyclopropene;7,7-Difluorocyclopropabenzene;
Density: 1.28 g/cm3
Boiling Point: 98.8 °C at 760 mmHg
Flash Point: 6.5 °C
PSA: 0.00000
LogP: 2.14010
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    Bicyclo[4.1.0]hepta-1,3,5-triene,7,7-difluoro-

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Specification

The Bicyclo[4.1.0]hepta-1,3,5-triene,7,7-difluoro-, with the CAS registry number 18238-55-6, is also known as 1,1-Difluoro-cyclopropabenzene. This chemical's molecular formula is C7H4F2 and molecular weight is 126.1035. What's more, both its IUPAC name and systematic name are the same which is called 7,7-Difluorobicyclo[4.1.0]hepta-1,3,5-triene.

Physical properties about Bicyclo[4.1.0]hepta-1,3,5-triene,7,7-difluoro- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.11; (6)ACD/BCF (pH 7.4): 7.11; (7)ACD/KOC (pH 5.5): 141.7; (8)ACD/KOC (pH 7.4): 141.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 29.57 cm3; (15)Molar Volume: 97.8 cm3; (16)Polarizability: 11.72×10-24 cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 6.5 °C; (20)Enthalpy of Vaporization: 32.42 kJ/mol; (21)Boiling Point: 98.8 °C at 760 mmHg; (22)Vapour Pressure: 45.2 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC2(F)c1ccccc12
(2) InChI: InChI=1/C7H4F2/c8-7(9)5-3-1-2-4-6(5)7/h1-4H
(3) InChIKey: QQESEAYTNOTARV-UHFFFAOYAA