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50381-53-8

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Basic Information
CAS No.: 50381-53-8
Name: 2-AMINO-2-(2-NITROPHENYL)ACETIC ACID
Molecular Structure:
Molecular Structure of 50381-53-8 (2-AMINO-2-(2-NITROPHENYL)ACETIC ACID)
Formula: C8H8N2O4
Molecular Weight: 196.163
Synonyms: D,L-(2-Nitrophenylglycine)hydrochloride;amino(2-nitrophenyl)acetic acid;Amino(2-nitrophenyl)acetic acid;benzeneacetic acid, α-amino-2-nitro-;
Density: 1.473 g/cm3
Boiling Point: 413.163 °C at 760 mmHg
Flash Point: 203.674 °C
PSA: 109.14000
LogP: 1.90270
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Specification

The Benzeneacetic acid, a-amino-2-nitro-, with the CAS registry number 50381-53-8, has the systematic name of amino(2-nitrophenyl)acetic acid. And the molecular formula of this chemical is C8H8N2O4. It belongs to the product category of Pharmacetical.

The physical properties of Benzeneacetic acid, a-amino-2-nitro- are as following: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 109.14 Å2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 47.45 cm3; (13)Molar Volume: 133.144 cm3; (14)Polarizability: 18.811×10-24cm3; (15)Surface Tension: 72.748 dyne/cm; (16)Density: 1.473 g/cm3; (17)Flash Point: 203.674 °C; (18)Enthalpy of Vaporization: 70.211 kJ/mol; (19)Boiling Point: 413.163 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C(O)=O)c1ccccc1N(=O)=O
(2)InChI: InChI=1/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)
(3)InChIKey: CEBXNGWSHWJBHX-UHFFFAOYAT