CAS
954235-93-9 Purity
---
954235-93-9 Purity
---
Inquiry Basket
2-(3-Bromo-phenyl)-[1,3]oxathiepane
CAS
954236-18-1
Catalog Number
ACM954236181
Category
Other Products
Molecular Weight
273.18932
Molecular Formula
C11H13BrOS
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
2-(3-Bromo-phenyl)-[1,3]oxathiepane
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(3-bromophenyl)-1,3-oxathiepane.
What is the molecular formula of the compound?
The molecular formula of the compound is C11H13BrOS.
What is the molecular weight of the compound?
The molecular weight of the compound is 273.19 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H13BrOS/c12-10-5-3-4-9(8-10)11-13-6-1-2-7-14-11/h3-5,8,11H,1-2,6-7H2.
What is the InChIKey of the compound?
The InChIKey of the compound is MEBDFRNYMQMADD-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CCSC(OC1)C2=CC(=CC=C2)Br.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.5.
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 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
Recommended Products
![7-Oxa-12-thia-spiro[5.6]dodecan-3-one](https://resource.alfa-chemistry.com/structure/954236-23-8.gif)
![2-(3-Nitro-phenyl)-[1,3]oxathiepane](https://resource.alfa-chemistry.com/structure/954236-28-3.gif)
CAS
954236-38-5 Purity
---
954236-38-5 Purity
---
