2-Chloro-8-methyl-7,8-dihydropteridin-6(5H)-one

CAS
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Purity
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CAS
944580-73-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM944580738

Product Name

2-Chloro-8-methyl-7,8-dihydropteridin-6(5H)-one

Structure

Structure

CAS

944580-73-8

Category

Heterocyclic Organic Compound

Synonyms

2-Chloro-7,8-dihydro-5H-pteridin-6-one;2-Chloro-7,8-dihydropteridin-6-(5H)-one 95+%;2-chloro-7,8-dihydropteridine

IUPAC Name

2-chloro-7,8-dihydro-5H-pteridin-6-one

Molecular Weight

184.5831

Molecular Formula

C₆H₅ClN₄O

Canonical SMILES

C1C(=O)NC2=CN=C(N=C2N1)Cl

InChI Key

OINQHTVVSZHUSS-UHFFFAOYSA-N

Boiling Point

536.1ºC at 760 mmHg

Flash Point

278ºC

Density

1.497 g/cm³

Exact Mass

184.01500

Hazard Statements

Xi

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2-Chloro-8-methyl-7,8-dihydropteridin-6(5H)-one?

The molecular formula is C7H7ClN4O.

What is the molecular weight of 2-Chloro-8-methyl-7,8-dihydropteridin-6(5H)-one?

The molecular weight is 198.61 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-chloro-8-methyl-5,7-dihydropteridin-6-one.

What is the InChI code for the compound?

The InChI code is InChI=1S/C7H7ClN4O/c1-12-3-5(13)10-4-2-9-7(8)11-6(4)12/h2H,3H2,1H3,(H,10,13).

What is the InChIKey for the compound?

The InChIKey is CVRWNGLANPUNMW-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation is CN1CC(=O)NC2=CN=C(N=C21)Cl.

How many hydrogen bond donor counts are in the compound?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are in the compound?

There are 4 hydrogen bond acceptor counts.

How many rotatable bond counts are in the compound?

There are 0 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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