4-Amino-2-fluoro-5-methoxybenzoic acid supplier

Name
4-Amino-2-fluoro-5-methoxybenzoic acid
EINECS
CAS No. 1001346-91-3
Article Data5
CAS DataBase
Density 1.398 g/cm³
Solubility
Melting Point
Formula C₈H₈FNO₃
Boiling Point 368.924 °C at 760 mmHg
Molecular Weight 185.155
Flash Point 176.919 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Fluoro-4-amino-5-methoxybenzoic acid; 4-Amino-2-fluoro-5-methoxybenzoicacid; Benzoic acid, 4-amino-2-fluoro-5-methoxy-
PSA 72.55000
LogP 1.69590

4-Amino-2-fluoro-5-methoxybenzoic acid Specification

The 4-Amino-2-fluoro-5-methoxybenzoic acid, with the CAS registry number 1001346-91-3, is also known as Benzoic acid, 4-amino-2-fluoro-5-methoxy-. This chemical's molecular formula is C₈H₈FNO₃ and molecular weight is 185.15. What's more, its systematic name is 4-Amino-2-fluoro-5-methoxybenzoic acid.

Physical properties of 4-Amino-2-fluoro-5-methoxybenzoic acid are: (1)ACD/LogP: 1.275; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.40; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.49; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.55 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 44.091 cm³; (15)Molar Volume: 132.455 cm³; (16)Polarizability: 17.479×10^-24cm³; (17)Surface Tension: 54.0 dyne/cm; (18)Density: 1.398 g/cm³; (19)Flash Point: 176.919 °C; (20)Enthalpy of Vaporization: 64.951 kJ/mol; (21)Boiling Point: 368.924 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(c(cc1N)F)C(=O)O
(2)Std. InChI: InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)
(3)Std. InChIKey: AOFWIQANMFITAG-UHFFFAOYSA-N

Product Name

4-Amino-2-fluoro-5-methoxybenzoic acid

4-Amino-2-fluoro-5-methoxybenzoic acid Specification

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