| CAS Number | 450412-21-2 |
| Catalog Number | AG01ACW9(AGN-PC-0N3I98) |
| Chemical Name | 3-Bromo-2-iodobenzonitrile |
| IUPAC Name | 3-bromo-2-iodobenzonitrile |
| InChI | InChI=1S/C7H3BrIN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H |
| InChI Key | CURBUBRIORQIAT-UHFFFAOYSA-N |
| MDL Number | MFCD18391644 |
| Molecular Formula | C7H3BrIN |
| Molecular Weight | 307.9139 |
| SMILES | BrC=1C(=C(C#N)C=CC1)I |
| Synonyms | 3-bromo-2-iodobenzonitrile,
450412-21-2,
2-Iodo-3-bromobenzonitrile,
SCHEMBL9407871,
ZINC38690311,
AKOS033573777,
ACN-052116,
FCH1369966,
MCULE-6574450907,
NE31106,
OR400763,
EN300-141007,
Z1737940642,
3-bromo-2-iodo-benzonitrile,
CID10380532,
methyl 4-(3-methoxyphenyl)-5-oxopentanoate,
N/A,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.849g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.916g/mol |
| Monoisotopic Mass | 306.849g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number