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CAS No.: | 143880-81-3 |
---|---|
Name: | (R)-2-FLUOROBENZHYDROL |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C13H11FO |
Molecular Weight: | 202.228 |
Synonyms: | Benzenemethanol,2-fluoro-a-phenyl-, (R)-; |
Density: | 1.18 g/cm3 |
Boiling Point: | 312.3 °C at 760 mmHg |
Flash Point: | 172.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 20.23000 |
LogP: | 2.90740 |
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The Benzenemethanol,2-fluoro-a-phenyl-, (aR)-, with the CAS registry number 143880-81-3, is also known as (R)-2-Fluorobenzhydrol. This chemical's molecular formula is C13H11FO and molecular weight is 202.23. What's more, its systematic name is called (R)-(2-Fluorophenyl)(phenyl)methanol. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenemethanol,2-fluoro-a-phenyl-, (aR)- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 78.09; (6)ACD/BCF (pH 7.4): 78.09; (7)ACD/KOC (pH 5.5): 787.66; (8)ACD/KOC (pH 7.4): 787.65; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 57.09 cm3; (15)Molar Volume: 171.2 cm3; (16)Surface Tension: 43.8 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 172.6 °C; (19)Enthalpy of Vaporization: 58.41 kJ/mol; (20)Boiling Point: 312.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000228 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccccc1[C@H](O)c2ccccc2
(2) InChI: InChI=1S/C13H11FO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H/t13-/m1/s1
(3) InChIKey: HFVMEOPYDLEHBR-CYBMUJFWSA-N