[(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid supplier

Name
TERT-BUTOXYCARBONYLAMINO-(2-CHLORO-PHENYL)-ACETIC ACID
EINECS
CAS No. 313490-25-4
Density 1.272 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆ClNO₄
Boiling Point 431.5 °C at 760 mmHg
Molecular Weight 285.727
Flash Point 214.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid;N-Boc-(2'-Chlorophenyl)glycine;
PSA 75.63000
LogP 3.38130

[(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid Specification

The CAS register number of [(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid is 313490-25-4. It also can be called as Benzeneacetic acid,2-chloro-a-[[(1,1-dimethylethoxy)carbonyl]amino]- and the systematic name about this chemical is [(tert-butoxycarbonyl)amino](2-chlorophenyl)acetic acid. The molecular formula about this chemical is C₁₃H₁₆ClNO₄ and the molecular weight is 285.72.

Physical properties about [(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): -0.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.58; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84Å²; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 70.76 cm³; (14)Molar Volume: 224.4 cm³; (15)Polarizability: 28.05x10^-24cm³; (16)Surface Tension: 46.7 dyne/cm; (17)Flash Point: 214.8 °C; (18)Enthalpy of Vaporization: 72.43 kJ/mol; (19)Boiling Point: 431.5 °C at 760 mmHg; (20)Vapour Pressure: 3.27E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
(3)InChIKey: XPFJZGJBRMTXCE-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
(5)Std. InChIKey: XPFJZGJBRMTXCE-UHFFFAOYSA-N

Product Name

TERT-BUTOXYCARBONYLAMINO-(2-CHLORO-PHENYL)-ACETIC ACID

[(tert-Butoxycarbonyl)amino](2-chlorophenyl)acetic acid Specification

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