| CAS Number | 1093951-76-8 |
| Catalog Number | AG00920L |
| Chemical Name | 4-Fluoro-3-BroMoanthranilonitrile |
| IUPAC Name | 2-amino-3-bromo-4-fluorobenzonitrile |
| InChI | InChI=1S/C7H4BrFN2/c8-6-5(9)2-1-4(3-10)7(6)11/h1-2H,11H2 |
| InChI Key | XBYJIIQKKGUIBO-UHFFFAOYSA-N |
| MDL Number | MFCD18071063 |
| Molecular Formula | C7H4BrFN2 |
| Molecular Weight | 215.0225 |
| SMILES | N#CC1=CC=C(F)C(Br)=C1N |
| Synonyms | 2-Amino-3-bromo-4-fluorobenzonitrile,
1093951-76-8,
SCHEMBL2657089,
2-Bromo-6-cyano-3-fluoroaniline,
4-Fluoro-3-bromoanthranilonitrile,
XBYJIIQKKGUIBO-UHFFFAOYSA-N,
ZX-AP010517,
MFCD18071063,
ZINC71790052,
FCH1362869,
PC49007,
PS-11736,
Z5597,
C7H4BrFN2,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.025g/mol |
| Monoisotopic Mass | 213.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number