| CAS Number | 98550-53-9 |
| Catalog Number | AG00IK4K(AGN-PC-0WOL8Y) |
| Chemical Name | 3-Amino-4-bromobenzamide |
| IUPAC Name | 3-amino-4-bromobenzamide |
| InChI | InChI=1S/C7H7BrN2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H2,10,11) |
| InChI Key | GWQQRVWVDJNYIK-UHFFFAOYSA-N |
| MDL Number | MFCD12790908 |
| Molecular Formula | C7H7BrN2O |
| Molecular Weight | 215.0473 |
| SMILES | NC(=O)c1ccc(c(c1)N)Br |
| Synonyms | 3-amino-4-bromobenzamide,
98550-53-9,
KM3632,
MFCD12790908,
ZINC40292747,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.05g/mol |
| Monoisotopic Mass | 213.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number