Prajna Generics

1160182-44-4

Chemistry, 1 End Use API, 21 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 1160182-44-4, A952h9xn44, 4-bromo-3-[1,3]dioxolan-2-yl-phenol, Phenol, 4-bromo-3-(1,3-dioxolan-2-yl)-, Unii-a952h9xn44, Schembl2526143

Molecular Formula

C₉H₉BrO₃

Molecular Weight

245.07 g/mol

InChI Key

YDFPHBYVAKDDEF-UHFFFAOYSA-N

FDA UNII

A952H9XN44

1 2D Structure

1160182-44-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromo-3-(1,3-dioxolan-2-yl)phenol

2.1.2 InChI

InChI=1S/C9H9BrO3/c10-8-2-1-6(11)5-7(8)9-12-3-4-13-9/h1-2,5,9,11H,3-4H2

2.1.3 InChI Key

YDFPHBYVAKDDEF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COC(O1)C2=C(C=CC(=C2)O)Br

2.2 Other Identifiers

2.2.1 UNII

A952H9XN44

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1160182-44-4

2. A952h9xn44

3. 4-bromo-3-[1,3]dioxolan-2-yl-phenol

4. Phenol, 4-bromo-3-(1,3-dioxolan-2-yl)-

5. Unii-a952h9xn44

6. Schembl2526143

7. Ydfphbyvakddef-uhfffaoysa-n

8. S10568

9. 4-bromo-3-[1, 3]dioxolan-2-yl-phenol

10. 4-bromo-3-[1,3]-dioxolan-2-yl-phenol

11. Ft-0753257

12. A902141

2.4 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₉BrO₃
Molecular Weight	245.07 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.7
Heavy Atom Count	13
Formal Charge	0
Complexity	170
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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4-[4-Bromo-3- (hydroxymethyl)phenoxy]benzonitrile

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CAS Number

906673-45-8

End Use API

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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