| CAS Number | 1365272-63-4 |
| Catalog Number | AG009WXD(AGN-PC-0WA6AI) |
| Chemical Name | 2-Bromo-6-isobutoxybenzonitrile |
| IUPAC Name | 2-bromo-6-(2-methylpropoxy)benzonitrile |
| InChI | InChI=1S/C11H12BrNO/c1-8(2)7-14-11-5-3-4-10(12)9(11)6-13/h3-5,8H,7H2,1-2H3 |
| InChI Key | ZUKLSCYYESFDIA-UHFFFAOYSA-N |
| MDL Number | MFCD21609679 |
| Molecular Formula | C11H12BrNO |
| Molecular Weight | 254.1231 |
| SMILES | CC(COc1cccc(c1C#N)Br)C |
| Synonyms | 2-Bromo-6-isobutoxybenzonitrile,
1365272-63-4,
MFCD21609679,
ZINC95495724,
V2622,
C11H12BrNO,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.127g/mol |
| Monoisotopic Mass | 253.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number