CAS
92161-46-1 Purity
---
92161-46-1 Purity
---
![5-(4-Cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid ethyl ester](https://resource.alfa-chemistry.com/structure/921619-39-8.gif)
Inquiry Basket
5-(4-Cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid
CAS
921620-15-7
Catalog Number
ACM921620157
Category
Other Products
Molecular Weight
386.284270 [g/mol]
Molecular Formula
C18H9F3N4O3
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
921620-15-7, 5-(4-CYANOPHENOXY)-3-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-TRIAZINE-6-CARBOXYLIC ACID, 5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid, SureCN14640571, CTK5H0964, AG-H-78176, A844162
IUPAC Name
5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid
Canonical SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=C(N=N2)C(=O)O)OC3=CC=C(C=C3)C#N
InChI Key
OMNPPFHKLNTKBS-UHFFFAOYSA-N
Exact Mass
386.06300
H-Bond Acceptor
10
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C18H9F3N4O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 386.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C18H9F3N4O3/c19-18(20,21)12-3-1-2-11(8-12)15-23-16(14(17(26)27)24-25-15)28-13-6-4-10(9-22)5-7-13/h1-8H,(H,26,27).
What is the InChIKey of the compound?
The InChIKey of the compound is OMNPPFHKLNTKBS-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=C(N=N2)C(=O)O)OC3=CC=C(C=C3)C#N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.2.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 1.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 10.
What is the rotatable bond count of the compound?
The rotatable bond count of the compound is 4.
Recommended Products
![5-Chloro-2-(4-methoxyphenyl)benzo[d]thiazole](https://resource.alfa-chemistry.com/structure/92161-46-1.gif)
![5-(4-Chlorophenoxy)-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide](https://resource.alfa-chemistry.com/structure/921620-16-8.gif)
CAS
921620-16-8 Purity
96%
921620-16-8 Purity
96%
![5-(4-Chlorophenoxy)-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide](https://resource.alfa-chemistry.com/structure/921620-20-4.gif)
CAS
921620-20-4 Purity
96%
921620-20-4 Purity
96%
![5-(4-Cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile](https://resource.alfa-chemistry.com/structure/921620-33-9.gif)
CAS
921620-33-9 Purity
96%
921620-33-9 Purity
96%
