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391624-83-2

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Basic Information
CAS No.: 391624-83-2
Name: (2S,3S)-2,3-bis(4-bromobenzoyloxy)succinic acid
Molecular Structure:
Molecular Structure of 391624-83-2 ((2S,3S)-2,3-bis(4-bromobenzoyloxy)succinic acid)
Formula: C18H12Br2O8
Molecular Weight: 516.09100
Synonyms: (2S,3S)-2,3-Bis((4-bromobenzoyl)oxy)succinic acid;
Density: 1.833
Boiling Point: 707.7±60.0 °C(Predicted)
PSA: 127.20000
LogP: 3.13180
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Chemistry

Molecular Structure of (2S,3S)-2,3-Bis[(4-bromobenzoyl)oxy]butanedioic acid (CAS NO.391624-83-2):

Systematic Name: 2,3-Bis[(4-bromobenzoyl)oxy]butanedioic acid 
Molecular Formula: C18H12Br2O8
Molecular Weight: 516.09 
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 9
Nominal Mass: 514
Average Mass: 516.0911
Monoisotopic Mass: 513.889877
Index of Refraction: 1.642
Molar Refractivity: 101.696 cm3
Molar Volume: 281.504 cm3
Surface Tension: 68.891 dyne/cm
Density: 1.833 g/cm3
Flash Point: 381.818 °C
Enthalpy of Vaporization: 108.694 kJ/mol
Boiling Point: 707.724 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O=C(OC(C(=O)O)C(OC(=O)c1ccc(Br)cc1)C(=O)O)c2ccc(Br)cc2
InChI: InChI=1/C18H12Br2O8/c19-11-5-1-9(2-6-11)17(25)27-13(15(21)22)14(16(23)24)28-18(26)10-3-7-12(20)8-4-10/h1-8,13-14H,(H,21,22)(H,23,24)
InChIKey: VCRKGOQEVATOPX-UHFFFAOYAH

Specification

 (2S,3S)-2,3-Bis[(4-bromobenzoyl)oxy]butanedioic acid (CAS NO.391624-83-2), its Synonym is (2S,3S)-2,3-Bis(4-bromobenzoyloxy)succinic acid .