| CAS Number | 131002-03-4 |
| Catalog Number | AG00LX96(AGN-PC-3H456F) |
| Chemical Name | 2-Bromo-4-methylbenzamide |
| IUPAC Name | 2-bromo-4-methylbenzamide |
| InChI | InChI=1S/C8H8BrNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11) |
| InChI Key | RZQOTWSJWWOQHP-UHFFFAOYSA-N |
| MDL Number | MFCD18392004 |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.0592 |
| NSC Number | 95797 |
| SMILES | c1(ccc(c(c1)Br)C(=O)N)C |
| Synonyms | 2-bromo-4-methylbenzamide,
131002-03-4,
NSC95797,
2-Bromo-4-methyl-benzamide,
SCHEMBL305165,
AC1L67A9,
Benzamide, 2-bromo-4-methyl-,
CTK6B6366,
RZQOTWSJWWOQHP-UHFFFAOYSA-N,
MFCD18392004,
NSC-95797,
AKOS017552495,
2-bromo-4-methylphenylformamide,
CID262340,
|
| 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 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number