CAS
917379-10-3 Purity
96%
917379-10-3 Purity
96%
Inquiry Basket
5-(4-Bromophenyl)-3-methyl-4-isoxazolecarboxylic acid ethyl ester
CAS
917388-58-0
Catalog Number
ACM917388580
Category
Other Products
Molecular Weight
310.143280 [g/mol]
Molecular Formula
C13H12BrNO3
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
Ethyl 5-(4-bromophenyl)-3-methylisoxazole-4-carboxylate, 917388-58-0, SureCN8243211, AB76455, KB-253489, Y6500, 5-(4-BROMOPHENYL)-3-METHYL-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
IUPAC Name
ethyl 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylate
Canonical SMILES
CCOC(=O)C1=C(ON=C1C)C2=CC=C(C=C2)Br
InChI Key
NHTUYMAZAFNLIP-UHFFFAOYSA-N
Exact Mass
309.00000
H-Bond Acceptor
4
H-Bond Donor
0
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H12BrNO3/c1-3-17-13(16)11-8(2)15-18-12(11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is NHTUYMAZAFNLIP-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC(=O)C1=C(ON=C1C)C2=CC=C(C=C2)Br.
What is the molecular weight of the compound?
The molecular weight of the compound is 310.14 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.3.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
![(S)-4-Benzyl-3-[(S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl]-2-oxazolidinone](https://resource.alfa-chemistry.com/structure/917379-10-3.gif)
CAS
917379-11-4 Purity
96%
917379-11-4 Purity
96%
