| CAS Number | 1017777-72-8 |
| Catalog Number | AG0090CZ(AGN-PC-0WAOHZ) |
| Chemical Name | 6-Chloro-2-fluoro-3-methoxybenzonitrile |
| IUPAC Name | 6-chloro-2-fluoro-3-methoxybenzonitrile |
| InChI | InChI=1S/C8H5ClFNO/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-3H,1H3 |
| InChI Key | MRGPSVJVQWPCNB-UHFFFAOYSA-N |
| MDL Number | MFCD09832269 |
| Molecular Formula | C8H5ClFNO |
| Molecular Weight | 185.5828 |
| SMILES | c1(ccc(c(c1F)C#N)Cl)OC |
| Synonyms | 6-CHLORO-2-FLUORO-3-METHOXYBENZONITRILE,
1017777-72-8,
MFCD09832269,
6-chloro-2-fluoro-3-methoxybenzenecarbonitrile,
CTK7A1339,
6-Chloro-2-fluoro-m-anisonitrile,
FCH836348,
SBB090326,
ZINC38529654,
AKOS006280549,
JS-4564,
PC48290,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.582g/mol |
| Monoisotopic Mass | 185.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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