| CAS Number | 847818-49-9 |
| Catalog Number | AG00G7B1(AGN-PC-04060T) |
| Chemical Name | 4-Bromo-1-(2-methoxyethyl)-1H-pyrazole |
| IUPAC Name | 4-bromo-1-(2-methoxyethyl)pyrazole |
| InChI | InChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3 |
| InChI Key | SJIMZWZHTDHXRI-UHFFFAOYSA-N |
| MDL Number | MFCD12405645 |
| Molecular Formula | C6H9BrN2O |
| Molecular Weight | 205.0525 |
| SMILES | COCCN1N=CC(Br)=C1 |
| Synonyms | 4-bromo-1-(2-methoxyethyl)-1H-pyrazole,
847818-49-9,
AC1Q4G18,
SCHEMBL1139688,
SJIMZWZHTDHXRI-UHFFFAOYSA-N,
MFCD12405645,
ZINC38074742,
AKOS010258550,
MCULE-1367114028,
NE15513,
1-(2-methoxyethyl)-4-bromo-1H-pyrazole,
DA-02865,
CS-0045062,
FT-0728995,
EN300-73236,
F8888-1264,
Z839706218,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.055g/mol |
| Monoisotopic Mass | 203.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number