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CAS No.: | 84012-60-2 |
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Name: | Calcium 2,4-dichlorophenolate |
Molecular Structure: | |
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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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