CAS
94200-31-4 Purity
96%
94200-31-4 Purity
96%
![2-[4-[[4-[[4-[(4-Amino-O-tolyl)azo]benzoyl]amino]-3-sulphophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonic acid](https://resource.alfa-chemistry.com/structure/94200-34-7.gif)
Inquiry Basket
4-[[2-Bromo-4-(vinylsulfonyl)phenyl]azo]-N-phenylaniline
CAS
94200-37-0
Catalog Number
ACM94200370
Category
Other Products
Molecular Weight
442.328940 [g/mol]
Molecular Formula
C20H16BrN3O2S
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
EINECS 303-514-6, CID3023954, 4-((2-Bromo-4-(vinylsulphonyl)phenyl)azo)-N-phenylaniline, 94200-37-0
IUPAC Name
4-[(2-bromo-4-ethenylsulfonylphenyl)diazenyl]-N-phenylaniline
Canonical SMILES
C=CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)NC3=CC=CC=C3)Br
InChI Key
BRFATZOQSWKYQG-UHFFFAOYSA-N
Boiling Point
643.3ºC at 760mmHg
Flash Point
342.9ºC
Density
1.4g/cm³
EC Number
303-514-6
Exact Mass
441.01500
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 3023954?
The molecular formula is C20H16BrN3O2S.
What is the molecular weight of the compound?
The molecular weight is 442.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[(2-bromo-4-ethenylsulfonylphenyl)diazenyl]-N-phenylaniline.
What is the Canonical SMILES notation of the compound?
The Canonical SMILES notation is C=CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)NC3=CC=CC=C3)Br.
What is the InChIKey of the compound?
The InChIKey is BRFATZOQSWKYQG-UHFFFAOYSA-N.
What is the CAS number of the compound?
The CAS number is 94200-37-0.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem release 2021.10.14.
Recommended Products
![1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(3-amino-2,2-dimethylpropyl)-6-methoxy-](https://resource.alfa-chemistry.com/structure/94200-38-1.gif)
CAS
94200-38-1 Purity
96%
94200-38-1 Purity
96%
![2-[(2-Ethylhexyl)amino]ethanesulfonic acid](https://resource.alfa-chemistry.com/structure/94200-39-2.gif)
![[[[3-[Methyl(phosphonomethyl)amino]propyl]imino]bis(methylene)]bisphosphonic acid](https://resource.alfa-chemistry.com/structure/94200-40-5.gif)
CAS
94200-40-5 Purity
---
94200-40-5 Purity
---
