| CAS Number | 179942-51-9 |
| Catalog Number | AG00ARFI(AGN-PC-0WA9J9) |
| Chemical Name | 4-(Hydroxyimino)methylphenylboronic acid |
| IUPAC Name | [4-[(E)-hydroxyiminomethyl]phenyl]boronic acid |
| InChI | InChI=1S/C7H8BNO3/c10-8(11)7-3-1-6(2-4-7)5-9-12/h1-5,10-12H/b9-5+ |
| InChI Key | BHSGANPJSINVBL-WEVVVXLNSA-N |
| MDL Number | MFCD04039325 |
| Molecular Formula | C7H8BNO3 |
| Molecular Weight | 164.9543 |
| SMILES | O/N=C/C1=CC=C(B(O)O)C=C1 |
| Synonyms | 4-(Hydroxyimino)methylphenylboronic acid,
179942-51-9,
(4-((Hydroxyimino)methyl)phenyl)boronic acid,
DTXSID20726917,
AKOS015950403,
ZINC170002670,
FCH1173245,
FCH3727361,
RP09110,
ACM179942519,
BC001855,
ST24034531,
Q-8706,
4-[(1E)-(hydroxyimino)methyl]phenylboronic acid,
{4-[(E)-(Hydroxyimino)methyl]phenyl}boronic acid,
J-513742,
Boronic acid, [4-[(hydroxyimino)methyl]phenyl]- (9CI),
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 165.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.955g/mol |
| Monoisotopic Mass | 165.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number