| CAS Number | 1245651-19-7 |
| Catalog Number | AG000MDZ(AGN-PC-09ROWC) |
| Chemical Name | 4-(Bromomethyl)-2,5-difluorobenzonitrile |
| IUPAC Name | 4-(bromomethyl)-2,5-difluorobenzonitrile |
| InChI | InChI=1S/C8H4BrF2N/c9-3-5-1-8(11)6(4-12)2-7(5)10/h1-2H,3H2 |
| InChI Key | ZYBADXNEYMARJT-UHFFFAOYSA-N |
| MDL Number | MFCD11847067 |
| Molecular Formula | C8H4BrF2N |
| Molecular Weight | 232.0249 |
| SMILES | FC1=C(CBr)C=C(F)C(C#N)=C1 |
| Synonyms | 4-(BROMOMETHYL)-2,5-DIFLUOROBENZONITRILE,
1245651-19-7,
SCHEMBL363766,
ZYBADXNEYMARJT-UHFFFAOYSA-N,
ZINC113662630,
FCH1406413,
2,5-Difluoro-4-(bromomethyl)benzonitrile,
SC-31544,
DB-022013,
FT-0755315,
Benzonitrile, 4-(bromomethyl)-2,5-difluoro-,
EN300-269986,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.028g/mol |
| Monoisotopic Mass | 230.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number