| CAS Number | 1256355-70-0 |
| Catalog Number | AG000O53(AGN-PC-06KD4L) |
| Chemical Name | 4-(4-Cyanophenylmethoxy)phenylboronic acid |
| IUPAC Name | [4-[(4-cyanophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C14H12BNO3/c16-9-11-1-3-12(4-2-11)10-19-14-7-5-13(6-8-14)15(17)18/h1-8,17-18H,10H2 |
| InChI Key | HBNORKQBRPHOPG-UHFFFAOYSA-N |
| MDL Number | MFCD12463468 |
| Molecular Formula | C14H12BNO3 |
| Molecular Weight | 253.0610 |
| SMILES | OB(O)C1=CC=C(OCC2=CC=C(C=C2)C#N)C=C1 |
| Synonyms | 1256355-70-0,
(4-((4-Cyanobenzyl)oxy)phenyl)boronic acid,
4-(4-CYANOPHENYLMETHOXY)PHENYLBORONIC ACID,
SCHEMBL2553460,
CTK4B4639,
DTXSID30655845,
ANW-66046,
MFCD12463468,
AKOS005875428,
ZINC169922459,
TR-035301,
X1961,
K-1871,
{4-[(4-Cyanophenyl)methoxy]phenyl}boronic acid,
C14H12BNO3,
(4-((4-Cyanobenzyl)oxy)phenyl)boronicacid,
[4-[(4-cyanophenyl)methoxy]phenyl]boronic acid,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.064g/mol |
| Monoisotopic Mass | 253.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.5A^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