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CAS 906657-86-1

Chemistry, 1 End Use API, 37 Related Intermediates

Manufacturers/Suppliers

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Also known as: 906657-86-1, 3-(benzyloxy)-5-bromo-2-methylpyridin-4-ol, 5-bromo-2-methyl-3-phenylmethoxy-1h-pyridin-4-one, Schembl82592, Schembl15324624, Mfcd16140264

Molecular Formula

C₁₃H₁₂BrNO₂

Molecular Weight

294.14 g/mol

InChI Key

RTPDVDCGESIMNA-UHFFFAOYSA-N

1 2D Structure

CAS 906657-86-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-2-methyl-3-phenylmethoxy-1H-pyridin-4-one

2.1.2 InChI

InChI=1S/C13H12BrNO2/c1-9-13(12(16)11(14)7-15-9)17-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)

2.1.3 InChI Key

RTPDVDCGESIMNA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)C(=CN1)Br)OCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 906657-86-1

2. 3-(benzyloxy)-5-bromo-2-methylpyridin-4-ol

3. 5-bromo-2-methyl-3-phenylmethoxy-1h-pyridin-4-one

4. Schembl82592

5. Schembl15324624

6. Mfcd16140264

7. Zinc43827643

8. Akos005071903

9. Be-0031

10. 3-benzyloxy-5-bromo-2-methyl-pyridine-4-ol

11. 5-bromo-2-methyl-3-(phenylmethoxy)-4-pyridinol

12. A922427

2.3 Create Date

2011-02-22

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₂BrNO₂
Molecular Weight	294.14 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	293.00514 g/mol
Monoisotopic Mass	293.00514 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	368
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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CAS Number

72235-52-0

End Use API

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:20...

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.

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