CAS
903130-38-1 Purity
96%
903130-38-1 Purity
96%
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3-Bromo-5-(4-fluorophenyl)isoxazole
CAS
903130-97-2
Catalog Number
ACM903130972
Category
Other Products
Molecular Weight
242.0500
Molecular Formula
C9H5BrFNO
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Specification
Synonyms
3-Bromo-5-(4-fluorophenyl)isoxazole, 3-bromo-5-(4-fluorophenyl)-1,2-oxazole, 903130-97-2, ZINC04198779, AC1MC7ZE, CTK7C0336, MolPort-000-139-407, PC1180, SBB099523, AKOS015836085, AG-A-58151, RP09482, KB-30299, B2185M500, FT-0685295
IUPAC Name
3-bromo-5-(4-fluorophenyl)-1,2-oxazole
Canonical SMILES
C1=CC(=CC=C1C2=CC(=NO2)Br)F
InChI Key
PZNNZGICSJRAMW-UHFFFAOYSA-N
Boiling Point
317.1ºC at 760 mmHg
Flash Point
145.6ºC
Density
1.601g/cm³
Exact Mass
240.95400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3-Bromo-5-(4-fluorophenyl)isoxazole?
The molecular formula of 3-Bromo-5-(4-fluorophenyl)isoxazole is C9H5BrFNO.
What is the molecular weight of 3-Bromo-5-(4-fluorophenyl)isoxazole?
The molecular weight of 3-Bromo-5-(4-fluorophenyl)isoxazole is 242.04 g/mol.
What is the IUPAC name of 3-Bromo-5-(4-fluorophenyl)isoxazole?
The IUPAC name of 3-Bromo-5-(4-fluorophenyl)isoxazole is 3-bromo-5-(4-fluorophenyl)-1,2-oxazole.
What is the InChIKey of 3-Bromo-5-(4-fluorophenyl)isoxazole?
The InChIKey of 3-Bromo-5-(4-fluorophenyl)isoxazole is PZNNZGICSJRAMW-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does 3-Bromo-5-(4-fluorophenyl)isoxazole have?
3-Bromo-5-(4-fluorophenyl)isoxazole has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 3-Bromo-5-(4-fluorophenyl)isoxazole?
The topological polar surface area of 3-Bromo-5-(4-fluorophenyl)isoxazole is 26Ų.
Is 3-Bromo-5-(4-fluorophenyl)isoxazole the canonicalized compound?
Yes, 3-Bromo-5-(4-fluorophenyl)isoxazole is the canonicalized compound.
What is the XLogP3 value of 3-Bromo-5-(4-fluorophenyl)isoxazole?
The XLogP3 value of 3-Bromo-5-(4-fluorophenyl)isoxazole is 3.7.
How many rotatable bond counts does 3-Bromo-5-(4-fluorophenyl)isoxazole have?
3-Bromo-5-(4-fluorophenyl)isoxazole has 1 rotatable bond count.
When was 3-Bromo-5-(4-fluorophenyl)isoxazole created and last modified?
3-Bromo-5-(4-fluorophenyl)isoxazole was created on July 19, 2005, and last modified on December 30, 2023.
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