CAS
915923-91-0 Purity
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915923-91-0 Purity
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3-Ethyl-4-(4-fluorophenyl)isoxazol-5-amine
CAS
915923-98-7
Catalog Number
ACM915923987
Category
Other Products
Molecular Weight
206.216243 [g/mol]
Molecular Formula
C11H11FN2O
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Specification
Synonyms
3-ETHYL-4-(4-FLUOROPHENYL)ISOXAZOL-5-AMINE, F3305-0613, 3-ethyl-4-(4-fluorophenyl)isoxazole-5-ylamine, AGN-PC-012Z27, CTK5H0133, MolPort-004-568-729, SBB081515, ZINC08745748, AKOS000276348, AG-H-76158, MCULE-8717973058, ST50774275, 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine, T5757036, 915923-98-7
IUPAC Name
3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine
Canonical SMILES
CCC1=NOC(=C1C2=CC=C(C=C2)F)N
InChI Key
LJMQWOISRINAAD-UHFFFAOYSA-N
Boiling Point
358.099ºC at 760 mmHg
Flash Point
170.372ºC
Density
1.213g/cm³
Exact Mass
206.08600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 3-Ethyl-4-(4-fluorophenyl)isoxazol-5-amine?
The molecular formula is C11H11FN2O.
What are some synonyms for 3-Ethyl-4-(4-fluorophenyl)isoxazol-5-amine?
Some synonyms include 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine and F3305-0613.
When was this compound created and modified according to PubChem?
It was created on 2007-07-31 and modified on 2023-12-30.
What is the InChIKey for 3-Ethyl-4-(4-fluorophenyl)isoxazol-5-amine?
The InChIKey is LJMQWOISRINAAD-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is CCC1=NOC(=C1C2=CC=C(C=C2)F)N.
What is the molecular weight of 3-Ethyl-4-(4-fluorophenyl)isoxazol-5-amine?
The molecular weight is 206.22 g/mol.
How many Hydrogen Bond Acceptor Counts does the compound have?
The compound has 4 Hydrogen Bond Acceptor Counts.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area is 52?2.
How many defined atom stereocenter counts does the compound have?
The compound has 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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