Prajna Generics

943311-78-2

Chemistry, 1 End Use API, 21 Related Intermediates

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Also known as: 943311-78-2, 4-(4-bromo-3-(((tetrahydro-2h-pyran-2-yl)oxy)methyl)phenoxy)benzonitrile, Ec 807-693-6, 4-[4-bromo-3-(oxan-2-yloxymethyl)phenoxy]benzonitrile, Benzonitrile, 4-[4-bromo-3-[[(tetrahydro-2h-pyran-2-yl)oxy]methyl]phenoxy]-, 4-[4-bromo-3-[[(tetrahydro-2h-pyran-2-yl)oxy]methyl]phenoxy]benzonitrile

Molecular Formula

C₁₉H₁₈BrNO₃

Molecular Weight

388.3 g/mol

InChI Key

FSRXMCXXMADZQL-UHFFFAOYSA-N

1 2D Structure

943311-78-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-bromo-3-(oxan-2-yloxymethyl)phenoxy]benzonitrile

2.1.2 InChI

InChI=1S/C19H18BrNO3/c20-18-9-8-17(24-16-6-4-14(12-21)5-7-16)11-15(18)13-23-19-3-1-2-10-22-19/h4-9,11,19H,1-3,10,13H2

2.1.3 InChI Key

FSRXMCXXMADZQL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCOC(C1)OCC2=C(C=CC(=C2)OC3=CC=C(C=C3)C#N)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 943311-78-2

2. 4-(4-bromo-3-(((tetrahydro-2h-pyran-2-yl)oxy)methyl)phenoxy)benzonitrile

3. Ec 807-693-6

4. 4-[4-bromo-3-(oxan-2-yloxymethyl)phenoxy]benzonitrile

5. Benzonitrile, 4-[4-bromo-3-[[(tetrahydro-2h-pyran-2-yl)oxy]methyl]phenoxy]-

6. 4-[4-bromo-3-[[(tetrahydro-2h-pyran-2-yl)oxy]methyl]phenoxy]benzonitrile

7. Schembl21239438

8. Dtxsid101149062

9. A858024

10. 4-{4-bromo-3-[(oxan-2-yloxy)methyl]phenoxy}benzonitrile

2.3 Create Date

2017-12-18

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈BrNO₃
Molecular Weight	388.3 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.5
Heavy Atom Count	24
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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4-[4-Bromo-3- (hydroxymethyl)phenoxy]benzonitrile

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CAS Number

906673-45-8

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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