| CAS Number | 1072951-65-5 |
| Catalog Number | AG003G7X(AGN-PC-0WA5UZ) |
| Chemical Name | 2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid |
| IUPAC Name | [2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid |
| InChI | InChI=1S/C17H14BClO3/c19-16-9-10-17(14-7-3-2-6-13(14)16)22-11-12-5-1-4-8-15(12)18(20)21/h1-10,20-21H,11H2 |
| InChI Key | IAOBABROWUQOMY-UHFFFAOYSA-N |
| MDL Number | MFCD08705266 |
| Molecular Formula | C17H14BClO3 |
| Molecular Weight | 312.5553 |
| SMILES | OB(C1=CC=CC=C1COC2=C3C=CC=CC3=C(Cl)C=C2)O |
| Synonyms | 2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid,
1072951-65-5,
2-[(4-Chloro-1-naphthyloxy)methyl]phenylboronic acid,
SCHEMBL2558478,
CTK8A9148,
DTXSID80584772,
ANW-15694,
MFCD08705266,
AKOS015894050,
ZINC169903645,
RTR-001628,
OR360981,
TR-001628,
Z7075,
I04-6873,
(2-{[(4-Chloronaphthalen-1-yl)oxy]methyl}phenyl)boronic acid,
2-[(4 inverted exclamation marka-Chloro-1-naphthyloxy)methyl]phenylboronic acid,
C17H14BClO3,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.556g/mol |
| Monoisotopic Mass | 312.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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