| CAS Number | 1072951-84-8 |
| Catalog Number | AG003BRB(AGN-PC-00UQV2) |
| Chemical Name | 3-Bromo-5-butoxyphenylboronic acid |
| IUPAC Name | (3-bromo-5-butoxyphenyl)boronic acid |
| InChI | InChI=1S/C10H14BBrO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7,13-14H,2-4H2,1H3 |
| InChI Key | OWWZXOTWNAQSTF-UHFFFAOYSA-N |
| MDL Number | MFCD08457637 |
| Molecular Formula | C10H14BBrO3 |
| Molecular Weight | 272.9314 |
| SMILES | CCCCOC1=CC(Br)=CC(B(O)O)=C1 |
| Synonyms | (3-Bromo-5-butoxyphenyl)boronic acid,
1072951-84-8,
3-Bromo-5-butoxyphenylboronic acid,
ACMC-2098tr,
CTK4A5304,
DTXSID10584765,
3-Bromo-5-butoxyphenylboranic acid,
ANW-15709,
MFCD08457637,
AKOS015834615,
ZINC169747452,
RTR-001643,
OR360359,
AX8230019,
ST2402321,
TR-001643,
Z7086,
A-3916,
I04-1789,
C10H14BBrO3,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.933g/mol |
| Monoisotopic Mass | 272.022g/mol |
| Rotatable Bond Count | 5 |
| 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