2-[[4-[(2-bromoallyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile (CAS 85391-57-7) — formula C18H16BrN5O3, molecular weight 430.3; category organic chemicals.
| CAS Number | 85391-57-7 |
|---|---|
| Molecular Formula | C18H16BrN5O3 |
| Molecular Weight | 430.3 |
| LogP | 3.8 |
| Category | Organic Chemicals |
2-[[4-[(2-bromoallyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile is a carbon-based organic compound with CAS registry number 85391-57-7 and molecular formula C18H16BrN5O3 (molecular weight 430.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85391-57-7
Its molecular formula C18H16BrN5O3 comprises 18 C, 16 H, 1 Br, 5 N, 3 O atoms.
Also known as: 2-[[4-[(2-bromoallyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile · 2-[[4-[(2-溴烯丙基)(2-羟乙基)氨基]苯基]偶氮]-5-硝基苯甲腈
Category: organic chemicals
The CAS registry number of 2-[[4-[(2-bromoallyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile is 85391-57-7.
Molecular formula C18H16BrN5O3, molecular weight 430.3.
It is also registered under: 2-[[4-[(2-bromoallyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile, 2-[[4-[(2-溴烯丙基)(2-羟乙基)氨基]苯基]偶氮]-5-硝基苯甲腈.
Category: Organic Chemicals.
Independent reference data for 2-[[4-[(2-bromoallyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile (CAS 85391-57-7), compiled from public chemistry databases.
| CAS 号 | 85391-57-7 |
|---|---|
| PubChem CID | 3020645 |
| 分子式 | C18H16BrN5O3 |
| IUPAC 名称 | 2-[[4-[2-bromoprop-2-enyl(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile |
| UNII（FDA） | NS00063465 |
| Molecular Weight | 430.3 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 429.04365 |
| Monoisotopic Mass | 429.04365 |
| Topological Polar Surface Area | 118 |
| Heavy Atom Count | 27 |
85391-57-7; EINECS 286-812-8; 2-((4-((2-Bromoallyl)(2-hydroxyethyl)amino)phenyl)azo)-5-nitrobenzonitrile; GMDXUESJQCRDNZ-UHFFFAOYSA-N; DTXSID201122374; NS00063465; 2-({4-[(2-Bromoprop-2-en-1-yl)(2-hydroxyethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile; 2-[2-[4-[(2-Bromo-2-propen-1-yl)(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
2-[[4-[(2-溴烯丙基)(2-羟乙基)氨基]苯基]偶氮]-5-硝基苯甲腈 · CAS 85391-57-7 · C18H16BrN5O3. UNII NS00063465.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.