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84012-60-2

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Basic Information
CAS No.: 84012-60-2
Name: Calcium 2,4-dichlorophenolate
Molecular Structure:
Molecular Structure of 84012-60-2 (Calcium 2,4-dichlorophenolate)
Formula: C6H3CaCl2O+
Molecular Weight: 202.0709
Synonyms: calcium 2,4-dichlorophenolate;Calcium bis(2,4-dichlorophenolate);Einecs 281-701-0
EINECS: 281-701-0
Boiling Point: 210 °C at 760 mmHg
Flash Point: 113.9 °C
PSA: 46.12000
LogP: 6.27440
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Specification

The CAS registry number of Phenolate, 2,4-dichloro-, calcium salt is 84012-60-2. This chemical's molecular formula is C6H3CaCl2O and molecular weight is 202.0709. What's more, its systematic name is called Phenolate, 2,4-dichloro-, calcium salt.

Physical properties about Calcium 2,4-dichlorophenolate are: (1)ACD/LogP: 3.00; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 110.82; (6)ACD/BCF (pH 7.4): 90.71; (7)ACD/KOC (pH 5.5): 1011.1; (8)ACD/KOC (pH 7.4): 827.63; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Flash Point: 113.9 °C; (14)Enthalpy of Vaporization: 46.45 kJ/mol; (15)Boiling Point: 210 °C at 760 mmHg; (16)Vapour Pressure: 0.136 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Ca+2].Clc1cc(Cl)c([O-])cc1
(2) InChI: InChI=1/C6H4Cl2O.Ca/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+2/p-1
(3) InChIKey: ZMCHAUFGMFBAMJ-REWHXWOFAL