CAS No.54053-45-1,(R)-(+)-2-CHLOROBUTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54053-45-1
Name:	(R)-(+)-2-CHLOROBUTANOIC ACID
Article Data:	16

Formula:	C₄H₇ClO₂
Molecular Weight:	122.551
Synonyms:	(R)-2-Chlorobutyric Acid;
Density:	1.213 g/cm³
Boiling Point:	203.2 °C at 760 mmHg
Flash Point:	76.7 °C
PSA:	37.30000
LogP:	1.08840

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Specification

The Butanoic acid,2-chloro-, (2R)-, with the CAS registry number 54053-45-1, is also known as (R)-2-Chlorobutyric Acid. It belongs to the product categories of Building Blocks for Liquid Crystals; Carboxylic Acids (Chiral); Chiral Building Blocks; Chiral Compounds (Building Blocks for Liquid Crystals); Functional Materials; Synthetic Organic Chemistry. This chemical's molecular formula is C₄H₇ClO₂ and molecular weight is 122.5502. What's more, its systematic name is called (2R)-2-Chlorobutanoic acid.

Physical properties about Butanoic acid,2-chloro-, (2R)- are: (1)ACD/LogP: 0.83; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -2.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 26.95 cm³; (15)Molar Volume: 100.9 cm³; (16)Surface Tension: 36.9 dyne/cm; (17)Density: 1.213 g/cm³; (18)Flash Point: 76.7 °C; (19)Enthalpy of Vaporization: 48.43 kJ/mol; (20)Boiling Point: 203.2 °C at 760 mmHg; (21)Vapour Pressure: 0.116 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl[C@@H](C(=O)O)CC
(2) InChI: InChI=1/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m1/s1
(3) InChIKey: RVBUZBPJAGZHSQ-GSVOUGTGBH