| CAS Number | 1379466-82-6 |
| Catalog Number | AG0017PH(AGN-PC-0WA8G4) |
| Chemical Name | Boronic acid, B-(3-chloro-4-fluoro-5-methoxyphenyl)- |
| IUPAC Name | (3-chloro-4-fluoro-5-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BClFO3/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,11-12H,1H3 |
| InChI Key | YYTGAWMIMXFEOE-UHFFFAOYSA-N |
| MDL Number | MFCD20441833 |
| Molecular Formula | C7H7BClFO3 |
| Molecular Weight | 204.3911 |
| SMILES | c1(c(c(cc(c1)B(O)O)Cl)F)OC |
| Synonyms | 3-Chloro-4-fluoro-5-methoxyphenylboronic acid,
1379466-82-6,
ACMC-209cf1,
CTK8B0692,
DTXSID00718335,
ANW-20363,
MFCD20441833,
AKOS025293569,
ZINC169955522,
FCH1602790,
PC412303,
TC-109108,
V2790,
B-9654,
(3-chloro-4-fluoro-5-methoxyphenyl)boronic acid,
Boronic acid, B-(3-chloro-4-fluoro-5-methoxyphenyl)-,
C7H7BClFO3,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.388g/mol |
| Monoisotopic Mass | 204.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number