| CAS Number | 1423037-37-9 |
| Catalog Number | AG009WVQ(AGN-PC-0WAC5Y) |
| Chemical Name | 7-Bromo-1H-1,2,3-benzotriazole-5-carbonitrile |
| IUPAC Name | 7-bromo-2H-benzotriazole-5-carbonitrile |
| InChI | InChI=1S/C7H3BrN4/c8-5-1-4(3-9)2-6-7(5)11-12-10-6/h1-2H,(H,10,11,12) |
| InChI Key | LZVSVULXMSHKGN-UHFFFAOYSA-N |
| MDL Number | MFCD23135963 |
| Molecular Formula | C7H3BrN4 |
| Molecular Weight | 223.0295 |
| SMILES | BrC1=C2C(N=NN2)=CC(C#N)=C1 |
| Synonyms | 7-Bromo-1H-1,2,3-benzotriazole-5-carbonitrile,
1423037-37-9,
ZINC95496069,
AKOS026673359,
V3191,
C7H3BrN4,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.033g/mol |
| Monoisotopic Mass | 221.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number