| CAS Number | 1011801-59-4 |
| Catalog Number | AG0003W0(AGN-PC-0WB3GB) |
| Chemical Name | 1-(2-Bromoethyl)-4-chloro-1H-pyrazole |
| IUPAC Name | 1-(2-bromoethyl)-4-chloropyrazole |
| InChI | InChI=1S/C5H6BrClN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2 |
| InChI Key | JWVGNGVIZSRTHN-UHFFFAOYSA-N |
| MDL Number | MFCD03727250 |
| Molecular Formula | C5H6BrClN2 |
| Molecular Weight | 209.4715 |
| SMILES | N1=CC(=CN1CCBr)Cl |
| Synonyms | 1-(2-BROMOETHYL)-4-CHLORO-1H-PYRAZOLE,
1011801-59-4,
AC1NFP7F,
SCHEMBL1934943,
CTK3J9592,
DTXSID30405680,
1-(2-bromoethyl)-4-chloropyrazole,
MFCD03727250,
ZINC19089276,
AKOS010029707,
AJ-71155,
DA-19291,
1H-Pyrazole, 1-(2-bromoethyl)-4-chloro-,
FT-0743937,
Y-0805,
1-(2-Bromoethyl)-4-chloro-1H-pyrazole, AldrichCPR,
1-(2-bromoethyl)-4-chloro-pyrazole,
CID4711796,
|
| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.471g/mol |
| Monoisotopic Mass | 207.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number