| CAS Number | 3336-34-3 |
| Catalog Number | AG00CTFL(AGN-PC-0JKE9Y) |
| Chemical Name | 2,6-Dichloro-3-hydroxybenzonitrile |
| IUPAC Name | 2,6-dichloro-3-hydroxybenzonitrile |
| InChI | InChI=1S/C7H3Cl2NO/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2,11H |
| InChI Key | JAIIUXZFGCEYAH-UHFFFAOYSA-N |
| MDL Number | MFCD01662155 |
| Molecular Formula | C7H3Cl2NO |
| Molecular Weight | 188.0108 |
| SMILES | N#CC1=C(Cl)C=CC(O)=C1Cl |
| Synonyms | 2,6-Dichloro-3-hydroxybenzonitrile,
3336-34-3,
3-Hydroxydichlobenil,
BRN 2096249,
BENZONITRILE, 2,6-DICHLORO-3-HYDROXY-,
AC1L2CPR,
CTK4H0472,
DTXSID00186974,
ZINC2027155,
MFCD01662155,
AKOS027439461,
LS-38676,
C7-H3-Cl2-N-O,
CID18748,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.007g/mol |
| Monoisotopic Mass | 186.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number