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Structure

2H-1,3-Thiazine,3-(fluoroacetyl)tetrahydro-2-(nitromethylene)-(9ci)

CAS
98412-18-1
Catalog Number
ACM98412181
Category
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What is the molecular formula of 2H-1,3-Thiazine,3-(fluoroacetyl)tetrahydro-2-(nitromethylene)-(9ci)?

The molecular formula is C7H9FN2O3S.

When was this compound created and modified in PubChem?

It was created on 2010-03-30 and modified on 2023-12-30.

What is the IUPAC name of this compound?

The IUPAC name is 2-fluoro-1-[(2Z)-2-(nitromethylidene)-1,3-thiazinan-3-yl]ethanone.

What is the InChI of this compound?

The InChI is InChI=1S/C7H9FN2O3S/c8-4-6(11)9-2-1-3-14-7(9)5-10(12)13/h5H,1-4H2/b7-5-.

What is the InChIKey of this compound?

The InChIKey is CPCROLSJQSVJBO-ALCCZGGFSA-N.

What is the molecular weight of this compound?

The molecular weight is 220.22 g/mol.

How many hydrogen bond donor counts are there in this compound?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in this compound?

There are 5 hydrogen bond acceptor counts.

What is the topological polar surface area of this compound?

The topological polar surface area is 91.4 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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