2'-Bromo-3-fluoropropiophenone

CAS
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Purity
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CAS
92821-83-5
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM92821835

Product Name

2'-Bromo-3-fluoropropiophenone

Structure

Structure

CAS

92821-83-5

Category

Heterocyclic Organic Compound

Synonyms

2-bromo-3-fluoropropiophenone

IUPAC Name

2-bromo-3-fluoro-1-phenylpropan-1-one

Molecular Weight

231.0616232

Molecular Formula

C9H8 Br F O

Canonical SMILES

CC(C(=O)C1=CC(=CC=C1)F)Br

InChI Key

HAROKKDPKJAWRY-UHFFFAOYSA-N

Boiling Point

255ºC at 760 mmHg

Flash Point

108ºC

Density

1.488g/cm³

Exact Mass

229.97400

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2'-Bromo-3-fluoropropiophenone?

The molecular formula is C9H8BrFO.

What is the molecular weight of 2'-Bromo-3-fluoropropiophenone?

The molecular weight is 231.06 g/mol.

What is the IUPAC name of 2'-Bromo-3-fluoropropiophenone?

The IUPAC name is 2-bromo-3-fluoro-1-phenylpropan-1-one.

What is the InChI of 2'-Bromo-3-fluoropropiophenone?

The InChI is InChI=1S/C9H8BrFO/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8H,6H2.

What is the InChIKey of 2'-Bromo-3-fluoropropiophenone?

The InChIKey is HAROKKDPKJAWRY-UHFFFAOYSA-N.

What is the canonical SMILES of 2'-Bromo-3-fluoropropiophenone?

The canonical SMILES is C1=CC=C(C=C1)C(=O)C(CF)Br.

What is the XLogP3-AA value of 2'-Bromo-3-fluoropropiophenone?

The XLogP3-AA value is 2.8.

How many hydrogen bond donor counts does 2'-Bromo-3-fluoropropiophenone have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2'-Bromo-3-fluoropropiophenone have?

It has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does 2'-Bromo-3-fluoropropiophenone have?

It has 3 rotatable bond counts.

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