| CAS Number | 87974-49-0 |
| Catalog Number | AG004IFB(AGN-PC-0OLDY3) |
| Chemical Name | 4-Chloro-2-[(1E)-(hydroxyimino)methyl]phenol |
| IUPAC Name | 4-chloro-2-(hydroxyiminomethyl)phenol |
| InChI | InChI=1S/C7H6ClNO2/c8-6-1-2-7(10)5(3-6)4-9-11/h1-4,10-11H |
| InChI Key | FXAILOLNECSGMI-UHFFFAOYSA-N |
| MDL Number | MFCD03412413 |
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.5810 |
| SMILES | Oc1ccc(cc1/C=N/O)Cl |
| Synonyms | 5-chloro-2-hydroxybenzaldehyde oxime,
Benzaldehyde, 5-chloro-2-hydroxy-, oxime, (E)-,
5-Chlorosalicylaldoxime,
87974-49-0,
(E)-5-Chloro-2-hydroxybenzaldehyde oxime,
5-chloro-2-hydroxybenzaldoxime,
CTK3C0546,
FXAILOLNECSGMI-UHFFFAOYSA-N,
MFCD03412413,
ZINC250741065,
MCULE-7870280580,
DB-013950,
(6E)-4-chloro-6-[(hydroxyamino)methylidene]cyclohexa-2,4-die,
1595-14-8,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.58g/mol |
| Monoisotopic Mass | 171.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number