CAS
936251-95-5 Purity
---
936251-95-5 Purity
---
Shopping basket
Benzene,1-[(1E)-2-nitroethenyl]-4-(trifluoromethyl)-
CAS
93628-97-8
Catalog Number
ACM93628978
Category
Other Products
Molecular Weight
217.1446496
Molecular Formula
C9H6 F3 N O2
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
4-Trifluoromethyl-beta-nitrostyrene
IUPAC Name
1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene
Canonical SMILES
C1=CC(=CC=C1C=C[N+](=O)[O-])C(F)(F)F
InChI Key
CATQYSSYYQMLHV-AATRIKPKSA-N
Boiling Point
254.8ºC at 760 mmHg
Flash Point
107.9ºC
Density
1.355g/cm³
Exact Mass
217.03500
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 688232?
The molecular formula is C9H6F3NO2.
What is the molecular weight of the compound?
The molecular weight is 217.14 g/mol.
What are some synonyms for this compound?
Some synonyms include 1-(2-nitrovinyl)-4-(trifluoromethyl)benzene and 4-trifluoromethyl-beta-nitrostyrene.
What is the IUPAC name of the compound?
The IUPAC name is 1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene.
What is the InChIKey of the compound?
The InChIKey is CATQYSSYYQMLHV-AATRIKPKSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is C1=CC(=CC=C1C=C[N+](=O)[O-])C(F)(F)F.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
How many rotatable bonds does the compound have?
The compound has 1 rotatable bond.
What is the topological polar surface area of the compound?
The topological polar surface area is 45.8 Å2.
How many defined bond stereocenters does the compound have?
The compound has 1 defined bond stereocenter.
Recommended Products
![Methyl 4-methoxy-[7-13c]-benzoate](https://resource.alfa-chemistry.com/structure/93627-95-3.gif)
![N,N'-Trimethylenebis[2-(1-phenyl-1H-tetrazol-5-ylthio)ethylsulfonylacetamide]](https://resource.alfa-chemistry.com/structure/93629-87-9.gif)
CAS
93629-87-9 Purity
---
93629-87-9 Purity
---
