| CAS Number | 36141-23-8 |
| Catalog Number | AG00D2F3(AGN-PC-0O9BME) |
| Chemical Name | 4-Chloro-2-(1-methyl-1H-pyrazol-5-yl)phenol |
| IUPAC Name | 4-chloro-2-(2-methylpyrazol-3-yl)phenol |
| InChI | InChI=1S/C10H9ClN2O/c1-13-9(4-5-12-13)8-6-7(11)2-3-10(8)14/h2-6,14H,1H3 |
| InChI Key | ITYOFLWVECCKGF-UHFFFAOYSA-N |
| MDL Number | MFCD19382475 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | CN1N=CC=C1C1=C(O)C=CC(Cl)=C1 |
| Synonyms | 4-Chloro-2-(1-methyl-1H-pyrazol-5-yl)phenol,
36141-23-8,
SCHEMBL364560,
DTXSID90634818,
ITYOFLWVECCKGF-UHFFFAOYSA-N,
ACT09603,
MFCD19382475,
ZINC66055053,
AKOS017550739,
AS-36121,
AB0006279,
AJ-115745,
X-2139,
Phenol, 4-chloro-2-(1-methyl-1H-pyrazol-5-yl)-,
(6E)-4-chloro-6-(2-methyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one,
(6E)-4-Chloro-6-(2-methyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319
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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