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[3-(2-Cyanoacetyl)Phenyl] Diethyl Phosphate manufacturers and suppliers on PharmaCompass

[3-(2-Cyanoacetyl)Phenyl] Diethyl Phosphate

[3-(2-Cyanoacetyl)Phenyl] Diethyl Phosphate

Chemistry, 1 End Use API, 5 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: [3-(2-cyanoacetyl)phenyl] diethyl phosphate, Beta-ketonitrile 5h, Chembl226711, Bdbm16190, Zinc14960889, Phosphoric acid, 3-(cyanoacetyl)phenyl diethyl ester

Molecular Formula

C₁₃H₁₆NO₅P

Molecular Weight

297.24 g/mol

InChI Key

QAKLCHHPNCSIJW-UHFFFAOYSA-N

1 2D Structure

[3-(2-Cyanoacetyl)Phenyl] Diethyl Phosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-(2-cyanoacetyl)phenyl] diethyl phosphate

2.1.2 InChI

InChI=1S/C13H16NO5P/c1-3-17-20(16,18-4-2)19-12-7-5-6-11(10-12)13(15)8-9-14/h5-7,10H,3-4,8H2,1-2H3

2.1.3 InChI Key

QAKLCHHPNCSIJW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOP(=O)(OCC)OC1=CC=CC(=C1)C(=O)CC#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. [3-(2-cyanoacetyl)phenyl] Diethyl Phosphate

2. Beta-ketonitrile 5h

3. Chembl226711

4. Bdbm16190

5. Zinc14960889

6. Phosphoric Acid, 3-(cyanoacetyl)phenyl Diethyl Ester

2.3 Create Date

2007-09-14

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆NO₅P
Molecular Weight	297.24 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	297.07660961 g/mol
Monoisotopic Mass	297.07660961 g/mol
Topological Polar Surface Area	85.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Acharya Chemicals

Acharya Group, providing everything you need in the chemical industry!

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India

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2-(3-Benzoylphenyl)propionitrile

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CAS Number

42872-30-0

End Use API

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renow...

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renowned for its commitment to technological excellence. Acharya’s core operations include the production, contract research and custom manufacturing of APIs, intermediates and specialty chemicals. With an annual turnover of ₹125 crores, where more than 90% is generated through global exports, Acharya Group has a proven track record of serving the European and US markets. Equipped with five independent manufacturing facilities, Acharya possesses extensive expertise in handling production across various scales, from laboratory to plant.