| CAS Number | 944128-92-1 |
| Catalog Number | AG00II57(AGN-PC-0WBRQ0) |
| Chemical Name | (4-Chloro-2-fluoro-3-methylphenyl)boronic acid |
| IUPAC Name | (4-chloro-2-fluoro-3-methylphenyl)boronic acid |
| InChI | InChI=1S/C7H7BClFO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,11-12H,1H3 |
| InChI Key | GEQUDJQVXRZIIK-UHFFFAOYSA-N |
| MDL Number | MFCD18447609 |
| Molecular Formula | C7H7BClFO2 |
| Molecular Weight | 188.3917 |
| SMILES | CC1=C(F)C(B(O)O)=CC=C1Cl |
| Synonyms | 944128-92-1,
(4-Chloro-2-fluoro-3-methylphenyl)boronic acid,
4-Chloro-2-fluoro-3-methylphenylboronic acid,
SCHEMBL1224426,
MFCD18447609,
AKOS006322035,
ZINC169748218,
BC001530,
ST24034648,
Z1146,
Q-7401,
BORONIC ACID, B-(4-CHLORO-2-FLUORO-3-METHYLPHENYL)-,
C7H7BClFO2,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.389g/mol |
| Monoisotopic Mass | 188.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number