-
Name
(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid
- EINECS
- CAS No. 129101-37-7
- Article Data4
- CAS DataBase
- Density 1.364 g/cm3
- Solubility
- Melting Point
- Formula C10H9 F O3
- Boiling Point 358 °C at 760 mmHg
- Molecular Weight 196.17
- Flash Point 170.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid;Nebivololo intermediate 3;6-Fluorochromane-2-carboxylic acid;(R)-6-FluorochroMan-2-carboxylic acid
- PSA 46.53000
- LogP 1.60390
(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid Specification
The (R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid, with the cas number 129101-37-7, is also called 2H-1-Benzopyran-2-carboxylicacid, 6-fluoro-3,4-dihydro-, (2R)-. The systematic name is (2R)-6-fluorochromane-2-carboxylic acid. Its molecular formula is C10H9FO3. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.53 Å2; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 46.13 cm3; (9)Molar Volume: 143.7 cm3; (10)Polarizability: 18.28×10-24cm3; (11)Surface Tension: 49 dyne/cm; (12)Enthalpy of Vaporization: 63.68 kJ/mol; (13)Vapour Pressure: 9.5×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@H]1CCc2cc(F)ccc2O1
(2)InChI: InChI=1/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)/t9-/m1/s1
(3)InChIKey: ZNJANLXCXMVFFI-SECBINFHBK
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