CAS
98383-56-3 Purity
96%
98383-56-3 Purity
96%
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2-(Trifluoromethyl)cinnamic acid
CAS
98386-81-3
Catalog Number
ACM98386813
Category
Other Products
Molecular Weight
216.16
Molecular Formula
C10H7F3O2
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Specification
Synonyms
2-(Trifluoromethyl)cinnamic acid 98%;2-(Trifluoromethyl)cinnamicacid98%
IUPAC Name
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILES
C1=CC=C(C(=C1)C=CC(=O)O)C(F)(F)F
InChI Key
AMVYAIXPAGBXOM-AATRIKPKSA-N
Boiling Point
276.9ºC at 760mmHg
Melting Point
199ºC
Flash Point
121.3ºC
Density
1.363g/cm³
EC Number
218-168-0
Exact Mass
216.04000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 2-(Trifluoromethyl)cinnamic acid?
The molecular formula is C10H7F3O2.
What is the molecular weight of 2-(Trifluoromethyl)cinnamic acid?
The molecular weight is 216.16 g/mol.
What is the IUPAC name of 2-(Trifluoromethyl)cinnamic acid?
The IUPAC name is (E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid.
What is the InChI of 2-(Trifluoromethyl)cinnamic acid?
The InChI is InChI=1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+.
What is the InChIKey of 2-(Trifluoromethyl)cinnamic acid?
The InChIKey is AMVYAIXPAGBXOM-AATRIKPKSA-N.
What is the canonical SMILES of 2-(Trifluoromethyl)cinnamic acid?
The canonical SMILES is C1=CC=C(C(=C1)C=CC(=O)O)C(F)(F)F.
What is the CAS number of 2-(Trifluoromethyl)cinnamic acid?
The CAS number is 2062-25-1.
What is the XLogP3-AA value of 2-(Trifluoromethyl)cinnamic acid?
The XLogP3-AA value is 2.8.
How many hydrogen bond acceptor count does 2-(Trifluoromethyl)cinnamic acid have?
It has 5 hydrogen bond acceptor count.
What is the topological polar surface area of 2-(Trifluoromethyl)cinnamic acid?
The topological polar surface area is 37.3?2.
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