Name: N-BOC-2-FLUOROANILINE
SKU: 98968-72-0

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Basic Information

Molecular Structure:
CAS No.:	98968-72-0
Name:	N-BOC-2-FLUOROANILINE
Article Data:	18

Formula:	C₁₁H₁₄FNO₂
Molecular Weight:	211.236
Synonyms:	Carbamicacid, (2-fluorophenyl)-, 1,1-dimethylethyl ester (9CI);tert-Butyl(2-fluorophenyl)carbamate;tert-Butyl N-(2-fluorophenyl)carbamate;tert-butyl (2-fluorophenyl)carbamate;carbamic acid, N-(2-fluorophenyl)-, 1,1-dimethylethyl ester;
Density:	1.156 g/cm³
Boiling Point:	230.1 °C at 760 mmHg
Flash Point:	92.9 °C
PSA:	38.33000
LogP:	3.24570

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Specification

The Carbamic acid,N-(2-fluorophenyl)-, 1,1-dimethylethyl ester, with the CAS registry number 98968-72-0, has the systematic name of tert-butyl (2-fluorophenyl)carbamate. And the molecular formula of this chemical is C₁₁H₁₄FNO₂. It belongs to the following product categories: N-BOC; API intermediates; Miscellaneous.

The physical properties of Carbamic acid,N-(2-fluorophenyl)-, 1,1-dimethylethyl ester are as following: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.27; (6)ACD/BCF (pH 7.4): 92.27; (7)ACD/KOC (pH 5.5): 887.58; (8)ACD/KOC (pH 7.4): 887.57; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 56.12 cm³; (15)Molar Volume: 182.6 cm³; (16)Polarizability: 22.25×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 92.9 °C; (20)Enthalpy of Vaporization: 46.67 kJ/mol; (21)Boiling Point: 230.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0672 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc1ccccc1F
(2)InChI: InChI=1/C11H14FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
(3)InChIKey: AUHNQFOFWVWFTH-UHFFFAOYAP