Prajna Generics

1217366-74-9

Chemistry, 1 End Use API, 21 Related Intermediates

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1 Suppliers

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Also known as: 1217366-74-9, 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile, Zj5rb3k89t, Benzonitrile, 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-, Benzonitrile, 4-(4-bromo-3-(1,3-dioxolan-2-yl)phenoxy)-, Unii-zj5rb3k89t

Molecular Formula

C₁₆H₁₂BrNO₃

Molecular Weight

346.17 g/mol

InChI Key

LYBDMDIHPQNASE-UHFFFAOYSA-N

FDA UNII

ZJ5RB3K89T

1 2D Structure

1217366-74-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile

2.1.2 InChI

InChI=1S/C16H12BrNO3/c17-15-6-5-13(9-14(15)16-19-7-8-20-16)21-12-3-1-11(10-18)2-4-12/h1-6,9,16H,7-8H2

2.1.3 InChI Key

LYBDMDIHPQNASE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COC(O1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)C#N)Br

2.2 Other Identifiers

2.2.1 UNII

ZJ5RB3K89T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1217366-74-9

2. 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile

3. Zj5rb3k89t

4. Benzonitrile, 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-

5. Benzonitrile, 4-(4-bromo-3-(1,3-dioxolan-2-yl)phenoxy)-

6. Unii-zj5rb3k89t

7. Schembl21241613

8. Mfcd28134561

9. Akos024464475

10. Ds-3217

11. Ac-30402

12. Cs-0157442

13. Ft-0746726

14. D82913

15. A857459

2.4 Create Date

2014-12-03

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₂BrNO₃
Molecular Weight	346.17 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.5
Heavy Atom Count	21
Formal Charge	0
Complexity	382
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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2-bromo-5-methoxybenzyl alcohol

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CAS Number

150192-39-5

End Use API

Crisaborole

About the Company

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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