| CAS Number | 142044-85-7 |
| Catalog Number | AG001HMS(AGN-PC-0LFZAX) |
| Chemical Name | 1-(2-Bromo-4-methylphenyl)-1H-pyrrole |
| IUPAC Name | 1-(2-bromo-4-methylphenyl)pyrrole |
| InChI | InChI=1S/C11H10BrN/c1-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,1H3 |
| InChI Key | GVOGUJBMHXFQFN-UHFFFAOYSA-N |
| MDL Number | MFCD02665225 |
| Molecular Formula | C11H10BrN |
| Molecular Weight | 236.1078 |
| SMILES | Cc1ccc(c(c1)Br)n1cccc1 |
| Synonyms | 1-(2-bromo-4-methylphenyl)-1H-pyrrole,
142044-85-7,
1-(2-bromo-4-methylphenyl)pyrrole,
AC1NFWWX,
SCHEMBL9043922,
DTXSID00405839,
GVOGUJBMHXFQFN-UHFFFAOYSA-N,
ZINC1519662,
BBL022306,
MFCD02665225,
STK895533,
AKOS000202148,
MCULE-8152884180,
AJ-26517,
DA-10438,
1H-Pyrrole, 1-(2-bromo-4-methylphenyl)-,
FT-0739754,
H8169,
ZINC01519662,
CID4715199,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.112g/mol |
| Monoisotopic Mass | 235g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 4.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number