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Structure

2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid

CAS
945610-03-7
Catalog Number
ACM945610037
Category
Other Products
Molecular Formula
C13H15FO4

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What is the molecular formula of 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid?

The molecular formula is C13H15FO4.

What are some synonyms for 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid?

Some synonyms include 945610-03-7, 4-(Carboxy-fluoro-methyl)-benzoic acid tert-butyl ester, and SCHEMBL4303852.

What is the molecular weight of 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid?

The molecular weight is 254.25 g/mol.

What is the IUPAC name of 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid?

The IUPAC name is 2-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid.

What is the InChI of 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid?

The InChI is InChI=1S/C13H15FO4/c1-13(2,3)18-12(17)9-6-4-8(5-7-9)10(14)11(15)16/h4-7,10H,1-3H3,(H,15,16).

What is the InChIKey of 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid?

The InChIKey is VBJJVQLWCJAQDQ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid?

The canonical SMILES is CC(C)(C)OC(=O)C1=CC=C(C=C1)C(C(=O)O)F.

What is the XLogP3-AA value of 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid?

The XLogP3-AA value is 2.7.

How many hydrogen bond donor counts does 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-(4-(tert-Butoxycarbonyl)phenyl)-2-fluoroacetic acid have?

It has 5 hydrogen bond acceptor counts.

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