CAS No.123053-23-6,4-CHLORO-L-PHENYLALANINE HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123053-23-6
Name:	4-CHLORO-L-PHENYLALANINE HCL
Article Data:	6

Formula:	C₉H₁₀ClNO₂^.HCl
Molecular Weight:	236.098
Synonyms:	(L)-4-Chlorophenylalaninehydrochloride;
Boiling Point:	368.4 °C at 760 mmHg
Flash Point:	176.6 °C
PSA:	63.32000
LogP:	2.79670

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Specification

The systematic name of this chemical is 4-chloro-L-phenylalanine hydrochloride. With the CAS registry number 123053-23-6, it is also named as L-p-Chlorophenylalanine hydrochloride. The molecular formula is C₉H₁₀ClNO₂.HCl and molecular weight is 236.09. In addition, people should be careful when using this chemical.

The other characteristics of 4-Chloro-L-phenylalanine hydrochloride can be summarized as: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 63.32 Å²; (7)Flash Point: 176.6 °C; (8)Enthalpy of Vaporization: 64.89 kJ/mol; (9)Boiling Point: 368.4 °C at 760 mmHg; (10)Vapour Pressure: 4.46E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.Clc1ccc(C[C@H](N)C(O)=O)cc1
2. InChI:InChI=1/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
3. InChIKey:PFOCEDBJFKVRHU-QRPNPIFTBJ
4. Std. InChI:InChI=1S/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
5. Std. InChIKey:PFOCEDBJFKVRHU-QRPNPIFTSA-N