| CAS Number | 1159826-63-7 |
| Catalog Number | AG000HCL(AGN-PC-08XRZJ) |
| Chemical Name | 1H-Pyrazole, 1-[(4-bromophenyl)methyl]- |
| IUPAC Name | 1-[(4-bromophenyl)methyl]pyrazole |
| InChI | InChI=1S/C10H9BrN2/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2 |
| InChI Key | JWKUEIBUDOSNAH-UHFFFAOYSA-N |
| MDL Number | MFCD12068403 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | BrC1=CC=C(C=C1)CN2N=CC=C2 |
| Synonyms | 1-(4-Bromobenzyl)-1H-pyrazole,
1159826-63-7,
1-[(4-bromophenyl)methyl]-1H-pyrazole,
AC1Q24VE,
SCHEMBL1773897,
JWKUEIBUDOSNAH-UHFFFAOYSA-N,
1-(4-bromo-benzyl)-1h-pyrazole,
MFCD12068403,
ZINC44137739,
AKOS008149427,
MCULE-7908423008,
NE35282,
1H-Pyrazole, 1-[(4-bromophenyl)methyl]-,
EN300-68249,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.1g/mol |
| Monoisotopic Mass | 235.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number