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136815-01-5

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Basic Information
CAS No.: 136815-01-5
Name: N-ACETYL-2-(4-FLUOROPHENYL)-L-GLYCINE
Article Data: 2
Molecular Structure:
Molecular Structure of 136815-01-5 (N-ACETYL-2-(4-FLUOROPHENYL)-L-GLYCINE)
Formula: C10H10FNO3
Molecular Weight: 211.19
Synonyms: (2S)-2-Acetamido-2-(4-fluorophenyl)acetic acid;
Density: 1.313 g/cm3
Boiling Point: 439.2 °C at 760 mmHg
Flash Point: 219.4 °C
PSA: 66.40000
LogP: 1.47840
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Specification

The Benzeneacetic acid, a-(acetylamino)-4-fluoro-, (S)- (9CI), with the CAS registry number 136815-01-5, is also known as N-Acetyl-2-(4-fluorophenyl)-L-glycine. This chemical's molecular formula is C10H10FNO3 and molecular weight is 211.19. What's more, its systematic name is (2S)-2-Acetamido-2-(4-fluorophenyl)acetic acid.

Physical properties about Benzeneacetic acid, a-(acetylamino)-4-fluoro-, (S)- (9CI) are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 66.4 Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 50.25 cm3; (9)Molar Volume: 160.7 cm3; (10)Polarizability: 19.92×10-24 cm3; (11)Surface Tension: 48.3 dyne/cm; (12)Density: 1.313 g/cm3; (13)Flash Point: 219.4 °C; (14)Enthalpy of Vaporization: 73.37 kJ/mol; (15)Boiling Point: 439.2 °C at 760 mmHg; (16)Vapour Pressure: 1.72E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)[C@H](NC(C)=O)C(O)=O
(2) InChI: InChI=1/C10H10FNO3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,12,13)(H,14,15)/t9-/m0/s1
(3) InChIKey: HZTADRWBVNKKSJ-VIFPVBQEBU