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Structure

4-(trifluoromethoxy)phenylacetic acid

CAS
4315-07-5
Catalog Number
ACM4315075
Category
Other Products
Molecular Weight
220.15
Molecular Formula
C9H7F3O3

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Specification

Synonyms
Benzeneacetic acid, 4-(trifluoromethoxy)-
IUPAC Name
2-[4-(trifluoromethoxy)phenyl]acetic acid
Canonical SMILES
C1=CC(=CC=C1CC(=O)O)OC(F)(F)F
InChI
InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key
ZMTIBXQPXBUWPQ-UHFFFAOYSA-N
Boiling Point
260.6±35.0 ºC
Melting Point
85-88 ºC (lit.)
Density
1.399±0.06 g/ml
Hazard Statements
Xi
Safety Description
26-36-37/39
Supplemental Hazard Statements
H315-H319-H335
Symbol
GHS07
What is the molecular formula of 4-(Trifluoromethoxy)phenylacetic acid?

The molecular formula of 4-(Trifluoromethoxy)phenylacetic acid is C9H7F3O3.

What is the molecular weight of 4-(Trifluoromethoxy)phenylacetic acid?

The molecular weight of 4-(Trifluoromethoxy)phenylacetic acid is 220.14 g/mol.

What is the IUPAC name of 4-(Trifluoromethoxy)phenylacetic acid?

The IUPAC name of 4-(Trifluoromethoxy)phenylacetic acid is 2-[4-(trifluoromethoxy)phenyl]acetic acid.

What is the CAS number of 4-(Trifluoromethoxy)phenylacetic acid?

The CAS number of 4-(Trifluoromethoxy)phenylacetic acid is 4315-07-5.

How many hydrogen bond donor counts are there in 4-(Trifluoromethoxy)phenylacetic acid?

There is 1 hydrogen bond donor count in 4-(Trifluoromethoxy)phenylacetic acid.

How many hydrogen bond acceptor counts are there in 4-(Trifluoromethoxy)phenylacetic acid?

There are 6 hydrogen bond acceptor counts in 4-(Trifluoromethoxy)phenylacetic acid.

What is the XLogP3 value of 4-(Trifluoromethoxy)phenylacetic acid?

The XLogP3 value of 4-(Trifluoromethoxy)phenylacetic acid is 2.6.

What is the exact mass of 4-(Trifluoromethoxy)phenylacetic acid?

The exact mass of 4-(Trifluoromethoxy)phenylacetic acid is 220.03472857 g/mol.

How many rotatable bond counts are there in 4-(Trifluoromethoxy)phenylacetic acid?

There are 3 rotatable bond counts in 4-(Trifluoromethoxy)phenylacetic acid.

Is 4-(Trifluoromethoxy)phenylacetic acid a canonicalized compound?

Yes, 4-(Trifluoromethoxy)phenylacetic acid is a canonicalized compound according to PubChem.

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