| CAS Number | 1356483-75-4 |
| Catalog Number | AG019F0S(AGN-PC-0WG414) |
| Chemical Name | 5-Bromo-N-Cyclopropyl-2-Nitroaniline |
| IUPAC Name | 5-bromo-N-cyclopropyl-2-nitroaniline |
| InChI | InChI=1S/C9H9BrN2O2/c10-6-1-4-9(12(13)14)8(5-6)11-7-2-3-7/h1,4-5,7,11H,2-3H2 |
| InChI Key | UNWWCMMLUVREEB-UHFFFAOYSA-N |
| MDL Number | MFCD21193895 |
| Molecular Formula | C9H9BrN2O2 |
| Molecular Weight | 257.0840 |
| SMILES | c1cc(c(cc1Br)NC2CC2)N(=O)=O |
| Synonyms | 5-bromo-N-cyclopropyl-2-nitroaniline,
1356483-75-4,
(5-Bromo-2-nitro-phenyl)-cyclopropyl-amine,
SCHEMBL431958,
UNWWCMMLUVREEB-UHFFFAOYSA-N,
MFCD21193895,
ZINC83730427,
AKOS014676606,
(5-bromo-2-nitro-phenyl)-cyclopropylamine,
CS-0036011,
5-bromo-N-cyclopropyl-2-nitrobenzenamine,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.087g/mol |
| Monoisotopic Mass | 255.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number