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22071-39-2

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Basic Information
CAS No.: 22071-39-2
Name: 2-AMINO-5-PHENOXYBENZOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 22071-39-2 (2-AMINO-5-PHENOXYBENZOIC ACID)
Formula: C13H11NO3
Molecular Weight: 229.235
Synonyms: Anthranilicacid, 5-phenoxy- (7CI,8CI);
Density: 1.311 g/cm3
Boiling Point: 414.498 °C at 760 mmHg
Flash Point: 204.481 °C
PSA: 72.55000
LogP: 3.34050
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Specification

The Benzoic acid,2-amino-5-phenoxy-, with the CAS registry number of 22071-39-2, is also known as Anthranilicacid, 5-phenoxy- (7CI,8CI). This chemical's molecular formula is C13H11NO3 and molecular weight is 229.23. What's more, its systematic name is 2-Amino-5-phenoxybenzoic acid.

Physical properties about the Benzoic acid,2-amino-5-phenoxy- are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 47; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.55 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 63.863 cm3; (15)Molar Volume: 174.83 cm3; (16)Surface Tension: 59.891 dyne/cm; (17)Density: 1.311 g/cm3; (18)Flash Point: 204.481 °C; (19)Enthalpy of Vaporization: 70.371 kJ/mol; (20)Boiling Point: 414.498 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c2cc(Oc1ccccc1)ccc2N
(2) InChI: InChI=1/C13H11NO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)
(3) InChIKey: DQQGVGXQQYLHTC-UHFFFAOYAH