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Structure

4-(2-Bromophenyl)pyrimidin-2-amine

CAS
99073-95-7
Catalog Number
ACM99073957
Category
Other Products
Molecular Weight
250.09462
Molecular Formula
C10H8BrN3

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Specification

Synonyms
4-(2-BROMOPHENYL)PYRIMIDIN-2-AMINE
What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(2-bromophenyl)pyrimidin-2-amine.

What is the molecular weight of the compound?

The molecular weight of the compound is 250.09 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H8BrN3/c11-8-4-2-1-3-7(8)9-5-6-13-10(12)14-9/h1-6H,(H2,12,13,14).

What is the InChIKey of the compound?

The InChIKey of the compound is ZCMWKKYYDONJDU-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC=C(C(=C1)C2=NC(=NC=C2)N)Br.

What is the CAS number of the compound?

The CAS number of the compound is 99073-95-7.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.2.

How many hydrogen bond donors does the compound have?

The compound has 1 hydrogen bond donor.

How many hydrogen bond acceptors does the compound have?

The compound has 3 hydrogen bond acceptors.

How many rotatable bonds does the compound have?

The compound has 1 rotatable bond.

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