| CAS Number | 900175-09-9 |
| Catalog Number | AG00IFYV |
| Chemical Name | (2,4-Difluoro-5-methylphenyl)boronic acid |
| IUPAC Name | (2,4-difluoro-5-methylphenyl)boronic acid |
| InChI | InChI=1S/C7H7BF2O2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,11-12H,1H3 |
| InChI Key | MIRDEWLPPDFBPE-UHFFFAOYSA-N |
| MDL Number | MFCD10697417 |
| Molecular Formula | C7H7BF2O2 |
| Molecular Weight | 171.9371 |
| SMILES | B(C1=CC(=C(C=C1F)F)C)(O)O |
| Synonyms | (2,4-difluoro-5-methylphenyl)boronic acid,
900175-09-9,
2,4-Difluoro-5-methylphenylboronic acid,
SCHEMBL2914323,
MIRDEWLPPDFBPE-UHFFFAOYSA-N,
AKOS006302272,
ZINC169986716,
AB59556,
NE19398,
RP02692,
Y4615,
J-500582,
BORONIC ACID, B-(2,4-DIFLUORO-5-METHYLPHENYL)-,
C7H7BF2O2,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.938g/mol |
| Monoisotopic Mass | 172.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number