| CAS Number | 868776-08-3 |
| Catalog Number | AG00IE8V(AGN-PC-0WAJP5) |
| Chemical Name | 4-bromo-2methyl benzamide |
| IUPAC Name | 4-bromo-2-methylbenzamide |
| InChI | InChI=1S/C8H8BrNO/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | PEXCDDFWOIUBNR-UHFFFAOYSA-N |
| MDL Number | MFCD12096764 |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.0592 |
| SMILES | O=C(N)C1=CC=C(Br)C=C1C |
| Synonyms | 4-Bromo-2-methylbenzamide,
868776-08-3,
4-Bromo-2-methyl-benzamide,
Benzamide,4-bromo-N-methyl-,
4-bromo-methyl-benzamide,
KSC559O4B,
SCHEMBL428805,
CTK4F9740,
DTXSID10609104,
PEXCDDFWOIUBNR-UHFFFAOYSA-N,
KS-00002X0M,
4-bromo-2-methyl benzoic acid amide,
MFCD12096764,
ZINC36830576,
AKOS009819868,
FS-2532,
AJ-93378,
27466-83-7,
|
| 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
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302
|
|
Packing Group
|
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number