| CAS Number | 928048-11-7 |
| Catalog Number | AG00IHCC(AGN-PC-0WBRQF) |
| Chemical Name | (3-Chloro-2-formyl-phenyl)boronic acid |
| IUPAC Name | (3-chloro-2-formylphenyl)boronic acid |
| InChI | InChI=1S/C7H6BClO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-4,11-12H |
| InChI Key | NYANPLLJDXQXPC-UHFFFAOYSA-N |
| MDL Number | MFCD13181639 |
| Molecular Formula | C7H6BClO3 |
| Molecular Weight | 184.3847 |
| SMILES | O=CC1=C(Cl)C=CC=C1B(O)O |
| Synonyms | (3-Chloro-2-formylphenyl)boronic acid,
928048-11-7,
3-Chloro-2-formylphenylboronic acid,
SCHEMBL1984475,
NYANPLLJDXQXPC-UHFFFAOYSA-N,
KS-000019FA,
2-Formyl-3-chlorophenylboranic acid,
BBL102095,
MFCD13181639,
STL555894,
AKOS016016062,
ZINC169748213,
(3-Chloro-2-formyl-phenyl)boronic acid,
BC001831,
CS-0063902,
ST24034344,
Z1112,
Q-8835,
C7H6BClO3,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.382g/mol |
| Monoisotopic Mass | 184.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^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