| CAS Number | 1276056-83-7 |
| Catalog Number | AG009DET(AGN-PC-0WBDC6) |
| Chemical Name | (4-Bromo-1-methyl-1h-pyrazol-5-yl)methanol |
| IUPAC Name | (4-bromo-2-methylpyrazol-3-yl)methanol |
| InChI | InChI=1S/C5H7BrN2O/c1-8-5(3-9)4(6)2-7-8/h2,9H,3H2,1H3 |
| InChI Key | YLTQBUUGYXTAHV-UHFFFAOYSA-N |
| MDL Number | MFCD18793417 |
| Molecular Formula | C5H7BrN2O |
| Molecular Weight | 191.0259 |
| SMILES | Cn1c(c(cn1)Br)CO |
| Synonyms | (4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)METHANOL,
1276056-83-7,
(4-bromo-1-methylpyrazol-5-yl)methan-1-ol,
SCHEMBL15229815,
DTXSID60725500,
YLTQBUUGYXTAHV-UHFFFAOYSA-N,
MFCD18793417,
SBB073829,
STL415100,
ZINC66322902,
AKOS015920724,
MCULE-6576973550,
QC-3041,
(4-bromo-2-methylpyrazol-3-yl)methanol,
DA-19402,
FT-0729598,
ST45256180,
(4-bromo-1-methyl-1H-pyrazol-5-yl) methanol,
C-2576,
(4-bromo-1-methyl-1H-pyrazol-5-yl)methanol, 95% - 1G 1g,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.028g/mol |
| Monoisotopic Mass | 189.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number