| CAS Number | 1704074-02-1 |
| Catalog Number | AG00AR8Q(AGN-PC-0WCROI) |
| Chemical Name | (3-(3-fluoropropoxy)-4-methylphenyl)boronic acid |
| IUPAC Name | [3-(3-fluoropropoxy)-4-methylphenyl]boronic acid |
| InChI | InChI=1S/C10H14BFO3/c1-8-3-4-9(11(13)14)7-10(8)15-6-2-5-12/h3-4,7,13-14H,2,5-6H2,1H3 |
| InChI Key | DKNBXEFDFLTCEF-UHFFFAOYSA-N |
| MDL Number | MFCD28384325 |
| Molecular Formula | C10H14BFO3 |
| Molecular Weight | 212.0258 |
| SMILES | CC1=CC=C(B(O)O)C=C1OCCCF |
| Synonyms | (3-(3-fluoropropoxy)-4-methylphenyl)boronic acid,
1704074-02-1,
MFCD28384325,
AKOS025286780,
ZINC230545585,
AM88352,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.027g/mol |
| Monoisotopic Mass | 212.102g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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