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Benzeneacetic acid, a-amino-2-chloro-, methyl ester, (aR)-

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Name

Benzeneacetic acid, a-amino-2-chloro-, methyl ester, (aR)-

EINECS N/A
CAS No. 141109-16-2 Density 1.258 g/cm3
PSA 52.32000 LogP 2.21310
Solubility N/A Melting Point N/A
Formula C9H10ClNO2 Boiling Point 270.097 °C at 760 mmHg
Molecular Weight 199.637 Flash Point 117.151 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 141109-16-2 ((R)-(-)-2-CHLOROPHENYLGLYCINE METHYL ESTER) Hazard Symbols N/A
Synonyms

(R)-(-)-2-Chlorophenylglycine methyl ester;

Article Data 12

Benzeneacetic acid, a-amino-2-chloro-, methyl ester, (aR)- Specification

The Benzeneacetic acid, a-amino-2-chloro-, methyl ester, (aR)-, with the CAS registry number 141109-16-2, is also known as (R)-(-)-2-Chlorophenylglycine methyl ester. It belongs to the product category of Chiral. This chemical's molecular formula is C9H10ClNO2 and molecular weight is 199.63. What's more, its systematic name is Methyl (2R)-amino(2-chlorophenyl)ethanoate.

Physical properties about Benzeneacetic acid, a-amino-2-chloro-, methyl ester, (aR)- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.32 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 50.643 cm3; (9)Molar Volume: 158.616 cm3; (10)Polarizability: 20.076×10-24 cm3; (11)Surface Tension: 45.499 dyne/cm; (12)Density: 1.259 g/cm3; (13)Flash Point: 117.151 °C; (14)Enthalpy of Vaporization: 50.826 kJ/mol; (15)Boiling Point: 270.097 °C at 760 mmHg; (16)Vapour Pressure: 0.007 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1[C@@H](N)C(=O)OC
(2) InChI: InChI=1/C9H10ClNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3/t8-/m1/s1
(3) InChIKey: UTWOZNRDJNWTPS-MRVPVSSYBR

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