| CAS Number | 854633-21-9 |
| Catalog Number | AG00G9S0(AGN-PC-0WCLKM) |
| Chemical Name | 5-bromo-2-methylbenzamide |
| IUPAC Name | 5-bromo-2-methylbenzamide |
| InChI | InChI=1S/C8H8BrNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | IENXGTOPRPDOAE-UHFFFAOYSA-N |
| MDL Number | MFCD09999464 |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.0592 |
| SMILES | BrC=1C=CC(=C(C(=O)N)C1)C |
| Synonyms | 5-BROMO-2-METHYLBENZAMIDE,
854633-21-9,
SCHEMBL1788262,
IENXGTOPRPDOAE-UHFFFAOYSA-N,
MFCD09999464,
ZINC83256230,
AKOS014642538,
AS-47457,
SC-42352,
AJ-125806,
CS-0061324,
FT-0756865,
Z1265689880,
ACN-027993,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.062g/mol |
| Monoisotopic Mass | 212.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number