| CAS Number | 954228-85-4 |
| Catalog Number | AG003SRI(AGN-PC-04TLQV) |
| Chemical Name | 2-Benzylamino-5-bromo-3-nitropyridine |
| IUPAC Name | N-benzyl-5-bromo-3-nitropyridin-2-amine |
| InChI | InChI=1S/C12H10BrN3O2/c13-10-6-11(16(17)18)12(15-8-10)14-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15) |
| InChI Key | IAWNGUVINRYLKT-UHFFFAOYSA-N |
| MDL Number | MFCD09862702 |
| Molecular Formula | C12H10BrN3O2 |
| Molecular Weight | 308.1307 |
| SMILES | O=[N+](C1=CC(Br)=CN=C1NCC2=CC=CC=C2)[O-] |
| Synonyms | 954228-85-4,
N-Benzyl-5-bromo-3-nitropyridin-2-amine,
2-Benzylamino-5-bromo-3-nitropyridine,
ACMC-209ryr,
CTK5H7728,
DTXSID80647937,
ANW-40513,
MFCD09862702,
ZINC39956553,
AKOS010477763,
RTR-029788,
AJ-101446,
ST2407424,
TR-029788,
V9613,
B-5439,
I02-3331,
C12H10BrN3O2,
Benzyl-(5-bromo-3-nitro-pyridin-2-yl)-amine,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.135g/mol |
| Monoisotopic Mass | 306.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number