| CAS Number | 74163-48-7 |
| Catalog Number | AG00FGWP(AGN-PC-0OHED2) |
| Chemical Name | 3,5-Bis(bromomethyl)benzonitrile |
| IUPAC Name | 3,5-bis(bromomethyl)benzonitrile |
| InChI | InChI=1S/C9H7Br2N/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-5H2 |
| InChI Key | RPUUHCFKDYQOME-UHFFFAOYSA-N |
| MDL Number | MFCD22492792 |
| Molecular Formula | C9H7Br2N |
| Molecular Weight | 288.9666 |
| SMILES | BrCC=1C=C(C#N)C=C(C1)CBr |
| Synonyms | 3,5-bis(bromomethyl)benzonitrile,
74163-48-7,
SCHEMBL14689467,
MFCD22492792,
AKOS030627827,
ZINC169537213,
SY046098,
CS-0045360,
MFCD22492792 (95%),
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.892g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.97g/mol |
| Monoisotopic Mass | 286.895g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number