| CAS Number | 871126-27-1 |
| Catalog Number | AG003J3C(AGN-PC-0VAUQ2) |
| Chemical Name | (3-Bromo-5-propoxyphenyl)boronic acid |
| IUPAC Name | (3-bromo-5-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H12BBrO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,2-3H2,1H3 |
| InChI Key | OHFYAFQVSGUNME-UHFFFAOYSA-N |
| MDL Number | MFCD07784394 |
| Molecular Formula | C9H12BBrO3 |
| Molecular Weight | 258.9048 |
| SMILES | CCCOC1=CC(Br)=CC(B(O)O)=C1 |
| Synonyms | 3-Bromo-5-propoxyphenylboronic acid,
871126-27-1,
(3-Bromo-5-propoxyphenyl)boronic acid,
ACMC-209qfd,
CTK5F7839,
DTXSID50584724,
ANW-38519,
MFCD07784394,
AKOS015834235,
ZINC169877331,
RTR-027181,
BP-11410,
OR360809,
AX8261423,
Boronic acid,B-(3-bromo-5-propoxyphenyl)-,
X2595,
B-5428,
I04-1788,
C9H12BBrO3,
3-BROMO-5-PROPOXYPHENYLBORONICACID,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.906g/mol |
| Monoisotopic Mass | 258.006g/mol |
| Rotatable Bond Count | 4 |
| 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