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93840-94-9

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Basic Information
CAS No.: 93840-94-9
Name: ethyltriphenylphosphonium, salt with 4-chloro-2-cyclohexylphenol (1:1)
Molecular Structure:
Molecular Structure of 93840-94-9 (ethyltriphenylphosphonium, salt with 4-chloro-2-cyclohexylphenol (1:1))
Formula: C20H20P.C12H14ClO
Molecular Weight: 501.0466
Synonyms: Ethyltriphenylphosphonium, salt with 4-chloro-2-cyclohexylphenol (1:1)
EINECS: 298-962-1
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  • Phosphonium, ethyltriphenyl-, salt with 4-chloro-2-cyclohexylphenol (1:1)

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    Phosphonium, ethyltriphenyl-, salt with 4-chloro-2-cyclohexylphenol (1:1)

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Specification

The CAS registry number of Ethyltriphenylphosphonium, salt with 4-chloro-2-cyclohexylphenol (1:1) is 93840-94-9. Its EINECS registry number is 298-962-1. This chemical's molecular formula is C32H34ClOP and molecular weight is 501.038521. Its IUPAC name is called 4-chloro-2-cyclohexylphenolate; ethyl(triphenyl)phosphanium.

Physical properties of Ethyltriphenylphosphonium, salt with 4-chloro-2-cyclohexylphenol (1:1): (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 5; (4)Exact Mass: 500.20358; (5)MonoIsotopic Mass: 500.20358; (6)Topological Polar Surface Area: 23.1; (7)Heavy Atom Count: 35; (8)Formal Charge: 0; (9)Complexity: 425; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(CC1)C2=C(C=CC(=C2)Cl)[O-]
(2)InChI: InChI=1S/C20H20P.C12H15ClO/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h3-17H,2H2,1H3;6-9,14H,1-5H2/q+1;/p-1
(3)InChIKey: FJEKYAHLOHUUPG-UHFFFAOYSA-M