5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine

CAS

926304-76-9

Catalog Number

ACM926304769

Category

Other Products

Molecular Weight

309.115460 [g/mol]

Molecular Formula

C₁₂H₉BrN₂O₃

MSDS COA Spec Sheet

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Specification

Synonyms

5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine;4-[(5-Bromo-2-pyrimidinyl)oxy]benzoic acid methyl ester;Methyl 4-(5-bromopyrimidin-2-yloxy)benzoate

IUPAC Name

methyl 4-(5-bromopyrimidin-2-yl)oxybenzoate

Canonical SMILES

COC(=O)C1=CC=C(C=C1)OC2=NC=C(C=N2)Br

InChI Key

CVRYSDLIBPCSQF-UHFFFAOYSA-N

Boiling Point

441.3ºC at 760 mmHg

Flash Point

220.7ºC

Density

1.541g/cm³

Exact Mass

307.98000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine?

The molecular formula of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine is C12H9BrN2O3.

When was 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine created?

5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine was created on May 28, 2009.

What is the IUPAC name of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine?

The IUPAC name of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine is methyl 4-(5-bromopyrimidin-2-yl)oxybenzoate.

What is the InChIKey of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine?

The InChIKey of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine is CVRYSDLIBPCSQF-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine?

The canonical SMILES of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine is COC(=O)C1=CC=C(C=C1)OC2=NC=C(C=N2)Br.

What is the molecular weight of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine?

The molecular weight of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine is 309.11 g/mol.

How many heavy atoms are in 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine?

There are 18 heavy atoms in 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine.

Is 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine a canonicalized compound?

Yes, 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine is a canonicalized compound.

What is the topological polar surface area of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine?

The topological polar surface area of 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine is 61.3 Å².

How many hydrogen bond acceptors are in 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine?

There are 5 hydrogen bond acceptors in 5-Bromo-2-[(4-methoxycarbonyl)phenoxy]pyrimidine.