| CAS Number | 1373232-35-9 |
| Catalog Number | AG00HUVN(AGN-PC-0WNWB1) |
| Chemical Name | 3-Amino-5-bromo-N-propylbenzamide |
| IUPAC Name | 3-amino-5-bromo-N-propylbenzamide |
| InChI | InChI=1S/C10H13BrN2O/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3,12H2,1H3,(H,13,14) |
| InChI Key | VYVIYGOSTUEFKP-UHFFFAOYSA-N |
| MDL Number | MFCD22192355 |
| Molecular Formula | C10H13BrN2O |
| Molecular Weight | 257.1270 |
| SMILES | CCCNC(=O)c1cc(N)cc(c1)Br |
| Synonyms | 3-AMINO-5-BROMO-N-PROPYLBENZAMIDE,
1373232-35-9,
KM3570,
MFCD22192355,
ZINC95494756,
AKOS020126213,
A1-11146,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.131g/mol |
| Monoisotopic Mass | 256.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number