| CAS Number | 1426246-59-4 |
| Catalog Number | AG003J8O(AGN-PC-09MQSN) |
| Chemical Name | 3-Chloro-4-morpholinophenylboronic Acid |
| IUPAC Name | (3-chloro-4-morpholin-4-ylphenyl)boronic acid |
| InChI | InChI=1S/C10H13BClNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7,14-15H,3-6H2 |
| InChI Key | MLYNSBCEZWQQEF-UHFFFAOYSA-N |
| MDL Number | MFCD16660219 |
| Molecular Formula | C10H13BClNO3 |
| Molecular Weight | 241.4791 |
| SMILES | ClC1=CC(B(O)O)=CC=C1N2CCOCC2 |
| Synonyms | 3-Chloro-4-morpholinophenylboronic acid,
1426246-59-4,
(3-Chloro-4-morpholinophenyl)boronic acid,
KS-00000APY,
5849AJ,
MFCD16660219,
3-Chloro-4-morpholinophenylboronicAcid,
AKOS022177189,
ZINC169917250,
RP28492,
TRA0077817,
AS-32555,
SY008001,
AB0056783,
TC-307423,
FT-0765926,
Z-4405,
MFCD16660219 (95+%),
C10H13BClNO3,
B-[3-chloro-4-(4-morpholinyl)phenyl]Boronic acid,
15803-02-8,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.478g/mol |
| Monoisotopic Mass | 241.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^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