| CAS Number | 1057672-39-5 |
| Catalog Number | AG00941X(AGN-PC-0WNMLH) |
| Chemical Name | 4-(4-Bromo-2-Fluorophenyl)Butanenitrile |
| IUPAC Name | 4-(4-bromo-2-fluorophenyl)butanenitrile |
| InChI | InChI=1S/C10H9BrFN/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h4-5,7H,1-3H2 |
| InChI Key | VYVVZEIJTZBUQD-UHFFFAOYSA-N |
| MDL Number | MFCD09744540 |
| Molecular Formula | C10H9BrFN |
| Molecular Weight | 242.0876 |
| SMILES | N#CCCCC1=CC=C(Br)C=C1F |
| Synonyms | 4-(4-BROMO-2-FLUOROPHENYL)BUTANENITRILE,
1057672-39-5,
C10H9BrFN,
ACMC-2098hp,
CTK8A9111,
DTXSID50700689,
ANW-15275,
MFCD09744540,
ZINC81991115,
AKOS015908133,
FCH1392561,
CJ-21992,
AJ-124061,
AX8231575,
TC-104020,
ST24023165,
Z6822,
B-6360,
I14-24748,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.091g/mol |
| Monoisotopic Mass | 240.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number